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  
Chemistry
Organic Building Blocks
Aryls
methyl cyclohex-3-ene-1-carboxylate
2-Amino-5-methoxybenzoic acid
Chemistry
Organic Building Blocks
Aryls
Amines Esters Ethers Carboxylic Acids Phenols Trifluoromethyls Alkenyls Benzene Compounds
methyl cyclohex-3-ene-1-carboxylate
trifluoromethylphenol

[ CAS No. 6705-03-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6705-03-9
Chemical Structure| 6705-03-9
Structure of 6705-03-9 * 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 [ 6705-03-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 6705-03-9 ]

SDS Specification
Alternatived Products of [ 6705-03-9 ]
Product Citations

Product Details of [ 6705-03-9 ]

CAS No. :6705-03-9 MDL No. :MFCD00016509
Formula : C8H9NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :UMKSAURFQFUULT-UHFFFAOYSA-N
M.W : 167.16 Pubchem ID :277930
Synonyms :

Calculated chemistry of [ 6705-03-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 44.3
TPSA : 72.55 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.3
Log Po/w (XLOGP3) : 0.91
Log Po/w (WLOGP) : 0.98
Log Po/w (MLOGP) : -0.37
Log Po/w (SILICOS-IT) : 0.5
Consensus Log Po/w : 0.66

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.69
Solubility : 3.43 mg/ml ; 0.0205 mol/l
Class : Very soluble
Log S (Ali) : -2.02
Solubility : 1.6 mg/ml ; 0.00957 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.53
Solubility : 4.91 mg/ml ; 0.0294 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.27

Safety of [ 6705-03-9 ]

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

Tags: 6705-03-9 synthesis path| 6705-03-9 SDS| 6705-03-9 COA| 6705-03-9 purity| 6705-03-9 application| 6705-03-9 NMR| 6705-03-9 COA| 6705-03-9 structure

Recommend Products
Same Skeleton Products
Related Products
Isomers
Categories
Chemistry
Organic Building Blocks
Alkenyls
methyl cyclohex-3-ene-1-carboxylate
Chemistry
Organic Building Blocks
Esters
methyl cyclohex-3-ene-1-carboxylate
Chemistry
Organic Building Blocks
Trifluoromethyls
trifluoromethylphenol
Chemistry
Organic Building Blocks
Amines
Chemistry
Organic Building Blocks
Aryls
Chemistry
Organic Building Blocks
Benzene Compounds
Chemistry
Organic Building Blocks
Carboxylic Acids
Chemistry
Organic Building Blocks
Ethers
Chemistry
Organic Building Blocks
Phenols

Technical Information

• Acidity of Phenols • Acyl Group Substitution • Arndt-Eistert Homologation • Benzylic Oxidation • Birch Reduction • Blanc Chloromethylation • Bouveault-Blanc Reduction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Catalytic Hydrogenation • Chan-Lam Coupling Reaction • Complex Metal Hydride Reductions • Electrophilic Substitution of the Phenol Aromatic Ring • Ester Cleavage • Etherification Reaction of Phenolic Hydroxyl Group • Friedel-Crafts Reaction • Halogenation of Phenols • Hunsdiecker-Borodin Reaction • Hydride Reductions • Hydrogenolysis of Benzyl Ether • Leuckart-Wallach Reaction • Mannich Reaction • Nomenclature of Ethers • Oxidation of Phenols • Passerini Reaction • Pechmann Coumarin Synthesis • Petasis Reaction • Preparation of Aldehydes and Ketones • Preparation of Alkylbenzene • Preparation of Amines • Preparation of Carboxylic Acids • Preparation of Ethers • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Carboxylic Acids • Reactions of Ethers • Reactions with Organometallic Reagents • Reimer-Tiemann Reaction • Schmidt Reaction • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Specialized Acylation Reagents-Vilsmeier Reagent • Ugi Reaction • Vilsmeier-Haack Reaction
Historical Records

Related Functional Groups of
[ 6705-03-9 ]

Aryls

Chemical Structure| 38160-63-3

[ 38160-63-3 ]

2-Amino-4-hydroxybenzoic acid

Similarity: 0.95

Chemical Structure| 21577-57-1

[ 21577-57-1 ]

2-Amino-4,6-dimethoxybenzoic acid

Similarity: 0.93

Chemical Structure| 401568-70-5

[ 401568-70-5 ]

Methyl 2-amino-4-hydroxybenzoate

Similarity: 0.93

Chemical Structure| 394-31-0

[ 394-31-0 ]

2-Amino-5-hydroxybenzoic acid

Similarity: 0.93

Chemical Structure| 3177-80-8

[ 3177-80-8 ]

2-Amino-3-methoxybenzoic acid

Similarity: 0.92

Ethers

Chemical Structure| 21577-57-1

[ 21577-57-1 ]

2-Amino-4,6-dimethoxybenzoic acid

Similarity: 0.93

Chemical Structure| 3177-80-8

[ 3177-80-8 ]

2-Amino-3-methoxybenzoic acid

Similarity: 0.92

Chemical Structure| 155666-33-4

[ 155666-33-4 ]

2-Amino-4-(benzyloxy)-5-methoxybenzoic acid

Similarity: 0.90

Chemical Structure| 1609073-29-1

[ 1609073-29-1 ]

2-Amino-4,5-bis((4-methoxybenzyl)oxy)benzoic acid

Similarity: 0.90

Chemical Structure| 379228-26-9

[ 379228-26-9 ]

Methyl 2-amino-4,6-dimethoxybenzoate

Similarity: 0.90

Amines

Chemical Structure| 38160-63-3

[ 38160-63-3 ]

2-Amino-4-hydroxybenzoic acid

Similarity: 0.95

Chemical Structure| 21577-57-1

[ 21577-57-1 ]

2-Amino-4,6-dimethoxybenzoic acid

Similarity: 0.93

Chemical Structure| 401568-70-5

[ 401568-70-5 ]

Methyl 2-amino-4-hydroxybenzoate

Similarity: 0.93

Chemical Structure| 394-31-0

[ 394-31-0 ]

2-Amino-5-hydroxybenzoic acid

Similarity: 0.93

Chemical Structure| 3177-80-8

[ 3177-80-8 ]

2-Amino-3-methoxybenzoic acid

Similarity: 0.92

Carboxylic Acids

Chemical Structure| 38160-63-3

[ 38160-63-3 ]

2-Amino-4-hydroxybenzoic acid

Similarity: 0.95

Chemical Structure| 21577-57-1

[ 21577-57-1 ]

2-Amino-4,6-dimethoxybenzoic acid

Similarity: 0.93

Chemical Structure| 394-31-0

[ 394-31-0 ]

2-Amino-5-hydroxybenzoic acid

Similarity: 0.93

Chemical Structure| 3177-80-8

[ 3177-80-8 ]

2-Amino-3-methoxybenzoic acid

Similarity: 0.92

Chemical Structure| 1609073-29-1

[ 1609073-29-1 ]

2-Amino-4,5-bis((4-methoxybenzyl)oxy)benzoic acid

Similarity: 0.90

; ;