4-Amino-3-mercaptobenzoic acid
TL;DR: 4-Amino-3-mercaptobenzoic acid (CAS 1571-66-0) is a chemical compound with molecular formula C7H7NO2S and molecular weight 169.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-sulfanylbenzoic acid
Also Known As: 4-Amino-3-mercaptobenzoic acid, 4-Amino-3-sulfanylbenzoic acid, Enilospirone, Benzoic acid, 4-amino-3-mercapto-, 3-Mercapto-4-aminobenzoic Acid
| Molecular Formula | C7H7NO2S |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.01974 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 1571-66-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)S)N |
| InChIKey | MHIJDDIBBUUVMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-3-mercaptobenzoic acid (CAS 1571-66-0), with molecular formula C7H7NO2S and molecular weight 169.02 g/mol. IUPAC: 4-amino-3-sulfanylbenzoic acid.
Chemical Property Profile of 4-Amino-3-mercaptobenzoic acid
Property Insights of 4-Amino-3-mercaptobenzoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-mercaptobenzoic acid. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-mercaptobenzoic acid. Following Lipinski's Rule of Five, 4-Amino-3-mercaptobenzoic acid has 3 hydrogen bond donor(s) and 4 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 4-Amino-3-mercaptobenzoic acid?
The CAS number of 4-Amino-3-mercaptobenzoic acid is 1571-66-0.
What is the molecular formula of 4-Amino-3-mercaptobenzoic acid?
The molecular formula of 4-Amino-3-mercaptobenzoic acid is C7H7NO2S.
What is the molecular weight of 4-Amino-3-mercaptobenzoic acid?
The molecular weight of 4-Amino-3-mercaptobenzoic acid is 169.02 g/mol.
Where can I buy 4-Amino-3-mercaptobenzoic acid?
You can request a quote for 4-Amino-3-mercaptobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-mercaptobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-mercaptobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.