2-((2-Aminophenyl)dithio)benzoic acid
TL;DR: 2-((2-Aminophenyl)dithio)benzoic acid (CAS 5301-13-3) is a chemical compound with molecular formula C13H11NO2S2 and molecular weight 277.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-aminophenyl)disulfanyl]benzoic acid
Also Known As: 2-((2-Aminophenyl)dithio)benzoic acid, 2-[(2-aminophenyl)disulfanyl]benzoic acid, o-(2-Aminophenyldithio)benzoic Acid, BENZOIC ACID, O-((O-AMINOPHENYL)DITHIO)-, BENZOIC ACID, 2-((2-AMINOPHENYL)DITHIO)-
| Molecular Formula | C13H11NO2S2 |
|---|---|
| Molecular Weight | 277.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.02313 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 5301-13-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2N |
| InChIKey | WJWAUWVAOASXHV-UHFFFAOYSA-N |
Product Overview
2-((2-Aminophenyl)dithio)benzoic acid (CAS 5301-13-3), with molecular formula C13H11NO2S2 and molecular weight 277.02 g/mol. IUPAC: 2-[(2-aminophenyl)disulfanyl]benzoic acid.
Chemical Property Profile of 2-((2-Aminophenyl)dithio)benzoic acid
Property Insights of 2-((2-Aminophenyl)dithio)benzoic acid
The XLogP value of 3.3 indicates that 2-((2-Aminophenyl)dithio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Aminophenyl)dithio)benzoic acid. Following Lipinski's Rule of Five, 2-((2-Aminophenyl)dithio)benzoic acid has 2 hydrogen bond donor(s) and 5 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-((2-Aminophenyl)dithio)benzoic acid?
The CAS number of 2-((2-Aminophenyl)dithio)benzoic acid is 5301-13-3.
What is the molecular formula of 2-((2-Aminophenyl)dithio)benzoic acid?
The molecular formula of 2-((2-Aminophenyl)dithio)benzoic acid is C13H11NO2S2.
What is the molecular weight of 2-((2-Aminophenyl)dithio)benzoic acid?
The molecular weight of 2-((2-Aminophenyl)dithio)benzoic acid is 277.02 g/mol.
Where can I buy 2-((2-Aminophenyl)dithio)benzoic acid?
You can request a quote for 2-((2-Aminophenyl)dithio)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Aminophenyl)dithio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Aminophenyl)dithio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.