4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid
TL;DR: 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid (CAS 6525-41-3) is a chemical compound with molecular formula C14H9NO6S and molecular weight 319.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-carboxyphenyl)sulfanyl-3-nitrobenzoic acid
Also Known As: 2-(4-carboxy-2-nitrophenylthio)benzoic acid, 4-(2-Carboxyphenylthio)-3-nitrobenzoic acid, 4-(2-carboxy-phenylsulfanyl)-3-nitro-benzoic acid, 4-[(2-carboxyphenyl)sulfanyl]-3-nitrobenzoic acid, 4-(2-carboxyphenyl)sulfanyl-3-nitrobenzoic acid
| Molecular Formula | C14H9NO6S |
|---|---|
| Molecular Weight | 319.02 g/mol |
| LogP | 3.1424 |
| Topological Polar Surface Area | 117.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.01505 |
| Heavy Atoms | 22 |
| Complexity | 773.6784 |
Chemical Identifiers
| CAS Number | 6525-41-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid (CAS 6525-41-3), with molecular formula C14H9NO6S and molecular weight 319.02 g/mol. IUPAC: 4-(2-carboxyphenyl)sulfanyl-3-nitrobenzoic acid.
Chemical Property Profile of 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid
Property Insights of 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid
The XLogP value of 3.1424 indicates that 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid. Following Lipinski's Rule of Five, 4-(2-Carboxy-phenylsulfanyl)-3-nitro-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 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid?
The CAS number of 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid is 6525-41-3.
What is the molecular formula of 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid?
The molecular formula of 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid is C14H9NO6S.
What is the molecular weight of 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid?
The molecular weight of 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid is 319.02 g/mol.
Where can I buy 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid?
You can request a quote for 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.