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Chemistry
Organic Building Blocks
Chlorides
3-chlorobenzoic acid
2-Amino-5-chloro-3-methylbenzoic acid
Chemistry
Organic Building Blocks
Chlorides
Fluorinated Building Blocks Carboxylic Acids
3-chlorobenzoic acid
methylbenzoic benzoic acid fluorobenzene

[ CAS No. 20776-67-4 ] 2-Amino-5-chloro-3-methylbenzoic acid

Cat. No.: A1003242
Chemical Structure| 20776-67-4
Chemical Structure| 20776-67-4
 Structure of 20776-67-4 * Storage: Keep in dark place,Inert atmosphere,Room temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 100g $36.00 Inquiry Inquiry
97% 500g $156.00 Inquiry Inquiry

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* Storage: Keep in dark place,Inert atmosphere,Room temperature

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

Quality Control of [ 20776-67-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 20776-67-4 ]

Specification

[ CAS No. 20776-67-4 ] 2-Amino-5-chloro-3-methylbenzoic acid

Cat. No.: A211853
Chemical Structure| 20776-67-4
Chemical Structure| 20776-67-4
 Structure of 20776-67-4 * Storage: Keep in dark place,Inert atmosphere,Room temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
98% 10g $13.00 Inquiry Inquiry
98% 25g $17.00 Inquiry Inquiry
98% 100g $37.00 Inquiry Inquiry
98% 500g $157.00 Inquiry Inquiry
98% 1kg $312.00 Inquiry Inquiry

Search after Editing

* Storage: Keep in dark place,Inert atmosphere,Room temperature

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

Quality Control of [ 20776-67-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 20776-67-4 ]

Specification
Alternatived Products of [ 20776-67-4 ]
Product Citations

Product Details of [ 20776-67-4 ]

CAS No. :20776-67-4 MDL No. :MFCD02358895
Formula : C8H8ClNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :KOPXCQUAFDWYOE-UHFFFAOYSA-N
M.W : 185.61 Pubchem ID :11644044
Synonyms :

Calculated chemistry of [ 20776-67-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 47.78
TPSA : 63.32 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) : -5.79 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.52
Log Po/w (XLOGP3) : 2.31
Log Po/w (WLOGP) : 1.94
Log Po/w (MLOGP) : 0.8
Log Po/w (SILICOS-IT) : 1.6
Consensus Log Po/w : 1.63

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.75
Solubility : 0.33 mg/ml ; 0.00178 mol/l
Class : Soluble
Log S (Ali) : -3.28
Solubility : 0.0979 mg/ml ; 0.000527 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.42
Solubility : 0.712 mg/ml ; 0.00384 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.3

Safety of [ 20776-67-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H317-H319-H335 Packing Group:N/A
GHS Pictogram:

Tags: 20776-67-4 synthesis path| 20776-67-4 SDS| 20776-67-4 COA| 20776-67-4 purity| 20776-67-4 application| 20776-67-4 NMR| 20776-67-4 COA| 20776-67-4 structure

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Categories
Chemistry
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3-chlorobenzoic acid
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Carboxylic Acids
benzoic acid
Chemistry
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Carboxylic Acids
methylbenzoic
Chemistry
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Chlorides
3-chlorobenzoic acid
Chemistry
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Fluorinated Building Blocks
fluorobenzene

Technical Information

• Alkyl Halide Occurrence • Arndt-Eistert Homologation • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Hunsdiecker-Borodin Reaction • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Passerini Reaction • Preparation of Amines • Preparation of Carboxylic Acids • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Carboxylic Acids • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Ugi Reaction
Historical Records

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