2-Amino-4-chloro-3-methylbenzoic acid
TL;DR: 2-Amino-4-chloro-3-methylbenzoic acid (CAS 98968-68-4) is a chemical compound with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-chloro-3-methylbenzoic acid
Also Known As: 2-amino-4-chloro-3-methylbenzoic acid, 2-amino-4-chloro-3-methyl-benzoic acid, 2-amino-4-chloro-3-methylbenzoicacid, Benzoic acid, 2-amino-4-chloro-3-methyl-, AE-646/12709136
| Molecular Formula | C8H8ClNO2 |
|---|---|
| Molecular Weight | 185.02 g/mol |
| LogP | 1.92882 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.02435 |
| Heavy Atoms | 12 |
| Complexity | 336.0749 |
Chemical Identifiers
| CAS Number | 98968-68-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1N)C(=O)O)Cl |
Product Overview
2-Amino-4-chloro-3-methylbenzoic acid (CAS 98968-68-4), with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol. IUPAC: 2-amino-4-chloro-3-methylbenzoic acid.
Chemical Property Profile of 2-Amino-4-chloro-3-methylbenzoic acid
Property Insights of 2-Amino-4-chloro-3-methylbenzoic acid
The XLogP value of 1.92882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-chloro-3-methylbenzoic acid. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-chloro-3-methylbenzoic acid. Following Lipinski's Rule of Five, 2-Amino-4-chloro-3-methylbenzoic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Amino-4-chloro-3-methylbenzoic acid?
The CAS number of 2-Amino-4-chloro-3-methylbenzoic acid is 98968-68-4.
What is the molecular formula of 2-Amino-4-chloro-3-methylbenzoic acid?
The molecular formula of 2-Amino-4-chloro-3-methylbenzoic acid is C8H8ClNO2.
What is the molecular weight of 2-Amino-4-chloro-3-methylbenzoic acid?
The molecular weight of 2-Amino-4-chloro-3-methylbenzoic acid is 185.02 g/mol.
Where can I buy 2-Amino-4-chloro-3-methylbenzoic acid?
You can request a quote for 2-Amino-4-chloro-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-chloro-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-chloro-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.