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

List Search MOL Search Structure Search

0
Chemistry
Asymmetric Synthesis >>Chiral Building BlocksChiral Catalysts, Chiral Ligands and Chiral ReagentsChiral Resolution ReagentsCatalysis Chemistry >>Achiral Crown LigandsC-H ActivationCarbon-Donor LigandsChiral Crown LigandsCross-CouplingCross-Coupling Using Transition Metal CatalystsDACH or Trost LigandsDiketone LigandsHydrogenationChemical Biology >>Conjugation ChemistryGlycoscienceLinkers and CrosslinkersNucleic Acid ChemistryPEGylation
Peptide ChemistryPhotolabile Protecting GroupHeterocyclic Building Blocks >>AcridinesAliphatic HeterocyclesAromatic HeterocyclesAzetidinesBenzimidazolesBenzisoxazolesBenzodioxansBenzofuransBenzothiazolesInorganic reagents >>Inorganic reagentOrganic Building Blocks >>Acyl ChloridesAlcoholsAldehydesAliphatic Chain HydrocarbonsAliphatic Cyclic Hydrocarbons
AlkenylsAlkylsAlkynylsAmidesOrganometallic 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 LinkerADC Linker with PayloadADC ToxinAnti-infection >>3CLproAntibacterialAntifungalAntiparasiticAntiprotozoalAntiviralBVDVCMVDengue VirusApoptosis >>Apoptosis InducerBcl-2c-Mycc-RETC/EBPCARDCaspase
DAPKIAPAutophagy >>AutophagyLC3LRRK2LysosomemitoNEETPPTSPHKTFEBULKBiochemical Reagent >>Cationic & Neutral LipidsDendrimersDye ReagentIntermediate and OthersCell Cycle >>APCAurora KinaseBUBCasein Kinase
Cdc25CDKChkCRM1DHFRCytoskeleton >>ActinArp2/3 ComplexCytoplasmic dyneinDynaminFAKFilamin-AGap JunctionIntegrinMicrotubule/TubulinDNA Damage >>AP endonucleaseATAD5ATM/ATRBRCADNA Alkylator/CrosslinkerMore >>
Material Science
Aggregation-Induced Emission >>Other AIE BlocksTetraphenylethylene 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 MOF ligandsMOF ligands of nitrogenous carboxylic acidsNitrogen containing MOF ligandsOther MOF ligandsNanomaterials >>Carbon NanomaterialsCeramic MembranesDendrimersGold NanoparticlesIron Oxide NanoparticlesMaterials by ApplicationMesoporous MaterialsMetals and Metal AlloysNano Minerals: NanoclaysOLED Materials >>DopantHostHTMOLED IntermediatesOther OLED related materialsOLED Materials >>DopantHostHTMOther OLED related metarialsOptical Materials >>Coumarin Dyes
Cyanine and Squarylium DyesDCM DyesDipyrromethene DyesFluorescence MaterialsFluorescent ProbesHeat and Pressure Sensitive DyesNear-Infrared (NIR) DyesOrganic Non-Linear Optical (NLO) MaterialsOrganic monomer of COF >>Aldehyde based COF monomerAlkynyl COF monomerAmino COF monomerBoric acid COF monomerCyano COF monomerMultifunctional COF monomerOther COF monomerTriphene seriesOrganic Pigments >>Organic PigmentOther Materials >>Mateial OtherPolymer Science >>MonomersPolymer AdditivesPolymerization ReagentsPolymersResins
Life Science
ADC-linkers >>ADC-linkerAmino Acids >>Amino AcidAmino Acid DerivativesAnalytical Science >>Stable IsotopesAPIs >>API
DNA/RNA >>Nucleosides and NucleotidesEnzymes >>EnzymeOther Life Science >>CRISPR/Cas9eIFIRE1Neuronal Signaling
Sigma ReceptorPeptides >>PeptideStandard Substrates >>Standard SubstrateSteroids >>Other Steroids
Contact Us
Home Cart 0 Sign in  
X
Chemistry
Heterocyclic Building Blocks
Pyridines
2,3,6-Trichloropyridin-4-amine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyridines
Amines Chlorides

[ CAS No. 874491-78-8 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 874491-78-8
Chemical Structure| 874491-78-8
Chemical Structure| 874491-78-8
Structure of 874491-78-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 100K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 874491-78-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 874491-78-8 ]

SDS Specification
Alternatived Products of [ 874491-78-8 ]

Product Details of [ 874491-78-8 ]

CAS No. :874491-78-8 MDL No. :MFCD20693863
Formula : C5H3Cl3N2 Boiling Point : -
Linear Structure Formula :- InChI Key :HLANAZQMFUWUPB-UHFFFAOYSA-N
M.W :197.45 Pubchem ID :71464198
Synonyms :

Calculated chemistry of [ 874491-78-8 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 43.67
TPSA : 38.91 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.57 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.64
Log Po/w (XLOGP3) : 2.72
Log Po/w (WLOGP) : 2.63
Log Po/w (MLOGP) : 1.62
Log Po/w (SILICOS-IT) : 2.64
Consensus Log Po/w : 2.25

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.22
Solubility : 0.118 mg/ml ; 0.0006 mol/l
Class : Soluble
Log S (Ali) : -3.19
Solubility : 0.127 mg/ml ; 0.000644 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.52
Solubility : 0.0599 mg/ml ; 0.000303 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.81

Safety of [ 874491-78-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 874491-78-8 ]

* 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.

  • Upstream synthesis route of [ 874491-78-8 ]
  • Downstream synthetic route of [ 874491-78-8 ]

[ 874491-78-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 874491-78-8 ]
  • [ 14121-36-9 ]
Reference： [1] Recueil des Travaux Chimiques des Pays-Bas, 1950, vol. 69, p. 673,690

Tags: 874491-78-8 synthesis path| 874491-78-8 SDS| 874491-78-8 COA| 874491-78-8 purity| 874491-78-8 application| 874491-78-8 NMR| 874491-78-8 COA| 874491-78-8 structure

Same Skeleton Products
Related Products
Historical Records

Related Functional Groups of
[ 874491-78-8 ]

Chlorides

Chemical Structure| 2176-63-8

[ 2176-63-8 ]

2,3,5,6-Tetrachloropyridin-4-amine

Similarity: 0.98

Chemical Structure| 184416-83-9

[ 184416-83-9 ]

2,3-Dichloropyridin-4-amine

Similarity: 0.98

Chemical Structure| 28443-69-8

[ 28443-69-8 ]

2,3,5-Trichloropyridin-4-amine

Similarity: 0.96

Chemical Structure| 2176-63-8

[ 2176-63-8 ]

2,3,5,6-Tetrachloropyridin-4-amine

Similarity: 0.98

Chemical Structure| 184416-83-9

[ 184416-83-9 ]

2,3-Dichloropyridin-4-amine

Similarity: 0.98

Amines

Chemical Structure| 2176-63-8

[ 2176-63-8 ]

2,3,5,6-Tetrachloropyridin-4-amine

Similarity: 0.98

Chemical Structure| 184416-83-9

[ 184416-83-9 ]

2,3-Dichloropyridin-4-amine

Similarity: 0.98

Chemical Structure| 28443-69-8

[ 28443-69-8 ]

2,3,5-Trichloropyridin-4-amine

Similarity: 0.96

Chemical Structure| 2176-63-8

[ 2176-63-8 ]

2,3,5,6-Tetrachloropyridin-4-amine

Similarity: 0.98

Chemical Structure| 184416-83-9

[ 184416-83-9 ]

2,3-Dichloropyridin-4-amine

Similarity: 0.98

Related Parent Nucleus of
[ 874491-78-8 ]

Pyridines

Chemical Structure| 2176-63-8

[ 2176-63-8 ]

2,3,5,6-Tetrachloropyridin-4-amine

Similarity: 0.98

Chemical Structure| 184416-83-9

[ 184416-83-9 ]

2,3-Dichloropyridin-4-amine

Similarity: 0.98

Chemical Structure| 28443-69-8

[ 28443-69-8 ]

2,3,5-Trichloropyridin-4-amine

Similarity: 0.96

Chemical Structure| 2176-63-8

[ 2176-63-8 ]

2,3,5,6-Tetrachloropyridin-4-amine

Similarity: 0.98

Chemical Structure| 184416-83-9

[ 184416-83-9 ]

2,3-Dichloropyridin-4-amine

Similarity: 0.98