630-580-1088 sales@ambeed.com
Structure Search

List Search MOL Search Structure Search

0
Chemistry
Boronic acids/esters >>1,3,2-DioxaborinaneAliphatic BoronsAromatic BoronsBCATBoric AcidsMIDA BoronatesOther BoronatesOther BoronsOxaborolesCatalysis Chemistry >>Achiral Crown LigandsC-H ActivationCarbon-Donor LigandsChiral Carbon LigandsChiral Crown LigandsChiral Olefin LigandsCross-CouplingCross-Coupling Using Transition Metal CatalystsDACH or Trost LigandsChemical Biology >>Conjugation Chemistry
GlycoscienceLinkers and CrosslinkersNucleic Acid ChemistryPEGylationPeptide ChemistryPhotolabile Protecting GroupHeterocyclic Building Blocks >>AcridinesAliphatic HeterocyclesAromatic HeterocyclesAzetidinesBenzimidazolesBenzisoxazolesBenzodioxansBenzofuransBenzothiazolesInorganic reagents >>Inorganic ReagentOrganic Building Blocks >>Acid AnhydridesAcyl ChloridesAlcohols
AldehydesAliphatic Chain HydrocarbonsAliphatic Cyclic HydrocarbonsAlkenesAlkylsAlkynesOrganometallic Reagents >>Grignard ReagentsOrganoarsenicOrganobismuthOrganoboronOrganogermaniumOrganolithiumOrganomercuryOrganosiliconOrganotinSpecialty Synthesis >>Enzyme-Mediated SynthesisFluorous SynthesisIonic LiquidsSolid Supported SynthesisStains and Dyes >>
Acid DyesAzoic DyesBasic DyesDirect DyesDisperse DyesDye IntermediatesMordant DyesOil DyesOther Stains and DyesSynthetic Reagents >>Acids and BasesC-C Bond FormationC-X Bond Formation (Halogen)C-X Bond Formation (Non-Halogen)Chelation and Complexation CompoundsCondensation AgentsCouplingDehydrating ReagentsFluorination Reagent
Pharmaceutical Intermediates
Analgesics >>BenzhydrocodoneBicifadineCapsaicinCelecoxibDebio-0827DexamethasoneElagolix SodiumEsketamine HydrochlorideIbuprofen SodiumAnesthetics >>CiprofolEsketamine HydrochlorideFospropofol Fospropofol DisodiumLevobupivacaine RemimazolamRemimazolam BesilateRemimazolam BesylateRopivacaineAnti-Addiction Agents >>Kakonein
Lofexidine HydrochlorideVarenicline Anti-inflammatory Agents >>ApremilastAsunaprevirATB-346 RelatedBalsalazide BaricitinibBencycloquidium BromideBudesonideCefiderocol Sulfate TosylateCeftaroline Fosamil AcetateAntibacterials >>AFN-1252 RelatedAlatrofloxacin Bedaquiline FumarateBesifloxacin BrilacidinCaspofungin AcetateCefiderocol Sulfate TosylateCefilavancinCeftaroline Fosamil
Anticonvulsants >>BrivaracetamCannabidiolEscitalopram OxalateEslicarbazepine Acetate RelatedFosphenytoinGabapentin EnacarbilJNJ-10234094LacosamideLevetiracetam RelatedAntidementia Agents >>Azeliragon RelatedDavunetideDonepezil HydrochlorideDonepezil RelatedEnsaculinFlorbetaben Flortaucipir F 18Flutemetamol IdalopirdineAntidepressants >>4-Chlorokynurenine
AgomelatineAgomelatine RelatedAllopregnanolone RelatedAmibegronAmitifadineAripiprazole RelatedBasimglurantBefloxatoneAntiemetics >>AprepitantAprepitant RelatedDolasetron RelatedDolasetron Mesylate HydrateFosaprepitant DimeglumineFosaprepitant RelatedOlanzapinePalonosetron RelatedPalonosetron HydrochlorideAntifungals >>Anidulafungin RelatedCabotegravirMore >>
Inhibitors/Agonists
ADC >>ADC AntibodyADC LinkerADC Linker with PayloadADC ToxinAntibody-Drug Conjugates (ADCs)Drug-Linker Conjugates for ADCAngiogenesis >>ALKBcr-AblBTKEGFRFAKFGFRFLT3HER2HIFAnti-infection >>3CLproAntibacterialAntibioticAntifungal
AntiparasiticAntiprotozoalAntiviralArenavirusBVDVApoptosis >>Apoptosis InducerBcl-2Bcl-6BRKc-Mycc-RETC/EBPCARDCaspaseAutophagy >>Atg4ATG4BATTECsAUTACsAutophagyBeclin1
FKBPLC3LRRK2Biochemical Reagent >>Cell Cycle >>AntifolateAPCAurora KinaseBUBCasein KinaseCdc25CDKChkCRISPR/Cas9Cytoskeleton >>ActinArp2/3 ComplexCYTHCytoplasmic DyneinDynaminFAKMore >>
Material Science
Aggregation-Induced Emission >>Other AIE BlocksTetraphenylethylene SeriesCOFs Linkers >>Aldehyde COFs LinkersAlkynyl COFs LinkersAmine COFs LinkersBoric COFs LinkersCyano COFs LinkersMultifunctional COFs linkersOther COFs linkersTriptycene SeriesElectronic Materials >>Battery MaterialsDye-Sensitized Solar Cell (DSSC) MaterialsElectronic MaterialLiquid Crystal (LC) MaterialsMolecular ConductorsOrganic Light-Emitting Diode (OLED) MaterialsOrganic Solar Cell (OPV) MaterialsOrganic Transistor (OFET) MaterialsPerovskite Solar Cell (PSC) MaterialsMagnetic Materials >>Magnetic Ionic LiquidsMagnetic MaterialMagnetic Metal Complexes
Organic Radicals Material Chemical Compounds >>Ligands for Functional Metal ComplexesLiquid Crystal (LC) Building BlocksPhthalocyanine Building BlocksPolymer and Macromolecule Semiconductor Building BlocksSmall Molecule Semiconductor Building BlocksSolubility Enhancing Reagents Supramolecular Host Materials MOF Ligands >>Carboxylic Acid MOF LigandsCarboxylic Acid Nitrogen-Containing Mixed MOF LigandsNitrogen-Containing MOF LigandsOther MOF LigandsNanomaterials >>Carbon NanomaterialsCeramic MembranesDendrimersGold NanoparticlesIron Oxide NanoparticlesMaterials by ApplicationMesoporous MaterialsMetals and Metal AlloysNano Minerals: NanoclaysOLED Materials >>Dopant
HostHTMOLED IntermediatesOther OLED related materialsOptical Materials >>Coumarin DyesCyanine and Squarylium DyesDCM DyesDipyrromethene DyesFluorescence MaterialsFluorescent ProbesHeat and Pressure Sensitive DyesNear-Infrared (NIR) DyesOrganic Non-Linear Optical (NLO) MaterialsOrganic Pigments >>Organic PigmentOther Materials >>Material OtherPolymer Science >>MonomersPolymer AdditivesPolymerization ReagentsPolymersResins
Contact Us
Home Cart 0 Sign in  
X
Chemistry
Heterocyclic Building Blocks
Pyridines
2-Chloro-N-ethylnicotinamide
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyridines
Amines Chlorides Amides

[ CAS No. 52943-22-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 52943-22-3
Chemical Structure| 52943-22-3
Chemical Structure| 52943-22-3
Structure of 52943-22-3 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 52943-22-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 52943-22-3 ]

SDS Specification
Alternatived Products of [ 52943-22-3 ]
Product Citations

Product Details of [ 52943-22-3 ]

CAS No. :52943-22-3 MDL No. :MFCD01358076
Formula : C8H9ClN2O Boiling Point : -
Linear Structure Formula :- InChI Key :LAGOHZCKMJZGIY-UHFFFAOYSA-N
M.W : 184.62 Pubchem ID :9182570
Synonyms :

Calculated chemistry of [ 52943-22-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 3
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 47.05
TPSA : 41.99 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.53
Log Po/w (XLOGP3) : 1.46
Log Po/w (WLOGP) : 1.48
Log Po/w (MLOGP) : 0.84
Log Po/w (SILICOS-IT) : 1.84
Consensus Log Po/w : 1.43

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.08
Solubility : 1.55 mg/ml ; 0.00839 mol/l
Class : Soluble
Log S (Ali) : -1.95
Solubility : 2.08 mg/ml ; 0.0113 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.43
Solubility : 0.068 mg/ml ; 0.000368 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.55

Safety of [ 52943-22-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 52943-22-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 52943-22-3 ]

[ 52943-22-3 ] Synthesis Path-Downstream   1~9

  • 1
  • [ 98-16-8 ]
  • [ 52943-22-3 ]
  • [ 51703-17-4 ]
Reference： [1]Journal of Chemical Research, Miniprint,1991,p. 2901 - 2919
  • 3
  • [ 2740-81-0 ]
  • [ 52943-22-3 ]
  • 2-(2-chlorophenylimino)-3-ethyl-2,3-dihydropyrido[3,2-e]-1,3-thiazin-4-one [ No CAS ]
Reference： [1]Heterocycles,2009,vol. 78,p. 1041 - 1046
  • 4
  • [ 52943-22-3 ]
  • [ 3288-04-8 ]
  • 3-ethyl-2-(2-methoxyphenylimino)-2,3-dihydropyrido[3,2-e]-1,3-thiazin-4-one [ No CAS ]
Reference： [1]Heterocycles,2009,vol. 78,p. 1041 - 1046
  • 5
  • [ 52943-22-3 ]
  • [ 621-30-7 ]
  • 3-ethyl-2-(3-methylphenylimino)-2,3-dihydropyrido[3,2-e]-1,3-thiazin-4-one [ No CAS ]
Reference： [1]Heterocycles,2009,vol. 78,p. 1041 - 1046
  • 6
  • [ 52943-22-3 ]
  • [ 1985-12-2 ]
  • 2-(4-bromophenylimino)-3-ethyl-2,3-dihydropyrido[3,2-e]-1,3-thiazin-4-one [ No CAS ]
Reference： [1]Heterocycles,2009,vol. 78,p. 1041 - 1046
  • 7
  • [ 75-15-0 ]
  • [ 52943-22-3 ]
  • [ 1198408-05-7 ]
Reference： [1]Heterocycles,2009,vol. 78,p. 2559 - 2564
  • 8
  • [ 573-97-7 ]
  • [ 52943-22-3 ]
  • C18H14N2O2 [ No CAS ]
Reference： [1]RSC Advances,2014,vol. 4,p. 55640 - 55648
  • 9
  • [ 695-96-5 ]
  • [ 52943-22-3 ]
  • C14H11ClN2O2 [ No CAS ]
Reference： [1]RSC Advances,2014,vol. 4,p. 55640 - 55648

Tags: 52943-22-3 synthesis path| 52943-22-3 SDS| 52943-22-3 COA| 52943-22-3 purity| 52943-22-3 application| 52943-22-3 NMR| 52943-22-3 COA| 52943-22-3 structure

Recommend Products
Same Skeleton Products
Related Products
Isomers
Categories
Chemistry
Heterocyclic Building Blocks
Pyridines
Chemistry
Organic Building Blocks
Amides
Chemistry
Organic Building Blocks
Amines
Chemistry
Organic Building Blocks
Chlorides

Technical Information

• 1,4-Addition of an Amine to a Conjugated Enone • 1,4-Addition of an Amine to a Conjugated Enone • Acid-Catalyzed α -Halogenation of Ketones • Acyl Group Substitution • Addition of a Hydrogen Halide to an Internal Alkyne • Alcohols from Haloalkanes by Acetate Substitution-Hydrolysis • Alkyl Halide Occurrence • Alkylation of an Alkynyl Anion • Amide Hydrolysis • Amide Hydrolysis • Amides Can Be Converted into Aldehydes • Amine Synthesis from Nitriles • Amine Synthesis from Nitriles • Amines Convert Acyl Chlorides into Amides • Amines Convert Esters into Amides • An Alkane are Prepared from an Haloalkane • Azide Reduction by LiAlH4 • Azide Reduction by LiAlH4 • Basicity of Amines • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Chichibabin Reaction • Chloroalkane Synthesis with SOCI2 • Complex Metal Hydride Reductions • Convert Haloalkanes into Alcohols by SN2 • Diazotization Reaction • DIBAL Attack Nitriles to Give Ketones • Enamine Formation • Formation of an Amide from an Amine and a Carboxylic Acid • Formation of an Amide from an Amine and a Carboxylic Acid • Friedel-Crafts Alkylation of Benzene with Haloalkanes • General Reactivity • Grignard Reaction • Halogenation of Alkenes • Hantzsch Pyridine Synthesis • Hemiaminal Formation from Amines and Aldehydes or Ketones • Hemiaminal Formation from Amines and Aldehydes or Ketones • Hiyama Cross-Coupling Reaction • Hofmann Elimination • Hofmann Rearrangement • Hydride Reductions • Hydrolysis of Imines to Aldehydes and Ketones • Imine Formation from Amines and Aldehydes or Ketones • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Lawesson's Reagent • Leuckart-Wallach Reaction • Mannich Reaction • Methylation of Ammonia • Methylation of Ammonia • Nitrosation of Amines • Peptide Bond Formation with DCC • Petasis Reaction • Preparation of Amines • Preparation of LDA • Pyridines React with Grignard or Organolithium Reagents • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reduction of an Amide to an Amine • Reduction of an Amide to an Amine • Reductive Amination • Reductive Amination • Ring Opening of Azacyclopropanes • Ring Opening of Azacyclopropanes • Ring Opening of Oxacyclobutanes • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Specialized Acylation Reagents-Vilsmeier Reagent • Stille Coupling • Strecker Synthesis • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Synthesis of 2-Amino Nitriles • Ugi Reaction
Historical Records

Related Functional Groups of
[ 52943-22-3 ]

Chlorides

Chemical Structure| 224048-89-9

[ 224048-89-9 ]

2-Chloro-N-(pyridin-3-ylmethyl)nicotinamide

Similarity: 1.00

Chemical Structure| 52943-23-4

[ 52943-23-4 ]

2-Chloro-N-propylnicotinamide

Similarity: 0.98

Chemical Structure| 224048-88-8

[ 224048-88-8 ]

2-Chloro-N-(pyridin-4-ylmethyl)nicotinamide

Similarity: 0.98

Chemical Structure| 65423-28-1

[ 65423-28-1 ]

N-Benzyl-2-chloronicotinamide

Similarity: 0.98

Chemical Structure| 56149-32-7

[ 56149-32-7 ]

N-Butyl-2-chloronicotinamide

Similarity: 0.97

Amides

Chemical Structure| 224048-89-9

[ 224048-89-9 ]

2-Chloro-N-(pyridin-3-ylmethyl)nicotinamide

Similarity: 1.00

Chemical Structure| 52943-23-4

[ 52943-23-4 ]

2-Chloro-N-propylnicotinamide

Similarity: 0.98

Chemical Structure| 224048-88-8

[ 224048-88-8 ]

2-Chloro-N-(pyridin-4-ylmethyl)nicotinamide

Similarity: 0.98

Chemical Structure| 65423-28-1

[ 65423-28-1 ]

N-Benzyl-2-chloronicotinamide

Similarity: 0.98

Chemical Structure| 56149-32-7

[ 56149-32-7 ]

N-Butyl-2-chloronicotinamide

Similarity: 0.97

Amines

Chemical Structure| 224048-89-9

[ 224048-89-9 ]

2-Chloro-N-(pyridin-3-ylmethyl)nicotinamide

Similarity: 1.00

Chemical Structure| 52943-23-4

[ 52943-23-4 ]

2-Chloro-N-propylnicotinamide

Similarity: 0.98

Chemical Structure| 224048-88-8

[ 224048-88-8 ]

2-Chloro-N-(pyridin-4-ylmethyl)nicotinamide

Similarity: 0.98

Chemical Structure| 65423-28-1

[ 65423-28-1 ]

N-Benzyl-2-chloronicotinamide

Similarity: 0.98

Chemical Structure| 56149-32-7

[ 56149-32-7 ]

N-Butyl-2-chloronicotinamide

Similarity: 0.97

Related Parent Nucleus of
[ 52943-22-3 ]

Pyridines

Chemical Structure| 224048-89-9

[ 224048-89-9 ]

2-Chloro-N-(pyridin-3-ylmethyl)nicotinamide

Similarity: 1.00

Chemical Structure| 52943-23-4

[ 52943-23-4 ]

2-Chloro-N-propylnicotinamide

Similarity: 0.98

Chemical Structure| 224048-88-8

[ 224048-88-8 ]

2-Chloro-N-(pyridin-4-ylmethyl)nicotinamide

Similarity: 0.98

Chemical Structure| 65423-28-1

[ 65423-28-1 ]

N-Benzyl-2-chloronicotinamide

Similarity: 0.98

Chemical Structure| 56149-32-7

[ 56149-32-7 ]

N-Butyl-2-chloronicotinamide

Similarity: 0.97

; ;