![5-Amino-2-[(4-chlorophenyl)thio]benzoic acid structure](/static/products/7816/78160-08-4.webp)
5-Amino-2-[(4-chlorophenyl)thio]benzoic acid
TL;DR: 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid (CAS 78160-08-4) is a chemical compound with molecular formula C13H10ClNO2S and molecular weight 279.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(4-chlorophenyl)sulfanylbenzoic acid
Also Known As: 5-amino-2-[(4-chlorophenyl)thio]benzoic acid, 5-amino-2-[(4-chlorophenyl)sulfanyl]benzoic acid, 5-amino-2-(4-chlorophenyl)sulfanylbenzoic acid, 5-Amino-2-((4-chlorophenyl)thio)benzoic acid, 5-amino-2-(4-chlorophenylthio)benzoic acid
| Molecular Formula | C13H10ClNO2S |
|---|---|
| Molecular Weight | 279.01 g/mol |
| LogP | 3.7716 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.0121 |
| Heavy Atoms | 18 |
| Complexity | 584.04517 |
Chemical Identifiers
| CAS Number | 78160-08-4 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=C(C=C(C=C2)N)C(=O)O)Cl |
Product Overview
5-Amino-2-[(4-chlorophenyl)thio]benzoic acid (CAS 78160-08-4), with molecular formula C13H10ClNO2S and molecular weight 279.01 g/mol. IUPAC: 5-amino-2-(4-chlorophenyl)sulfanylbenzoic acid.
Chemical Property Profile of 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid
Property Insights of 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid
The XLogP value of 3.7716 indicates that 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid. Following Lipinski's Rule of Five, 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid has 2 hydrogen bond donor(s) and 3 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 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid?
The CAS number of 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid is 78160-08-4.
What is the molecular formula of 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid?
The molecular formula of 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid is C13H10ClNO2S.
What is the molecular weight of 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid?
The molecular weight of 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid is 279.01 g/mol.
Where can I buy 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid?
You can request a quote for 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-[(4-chlorophenyl)thio]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.