4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid
TL;DR: 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid (CAS 103439-90-3) is a chemical compound with molecular formula C14H12N2O4S and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-aminophenyl)sulfanylmethyl]-3-nitrobenzoic acid
Also Known As: 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid, 4-{[(4-aminophenyl)sulfanyl]methyl}-3-nitrobenzoic acid, Benzoic acid, 4-(((4-aminophenyl)thio)methyl)-3-nitro-, 4-[(4-aminophenyl)sulfanylmethyl]-3-nitrobenzoic acid, 4-[[(4-Aminophenyl)thio]methyl]-3-nitrobenzoic acid
| Molecular Formula | C14H12N2O4S |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.0518 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 103439-90-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N)SCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | QXVAQDISTCYULP-UHFFFAOYSA-N |
Product Overview
4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid (CAS 103439-90-3), with molecular formula C14H12N2O4S and molecular weight 304.05 g/mol. IUPAC: 4-[(4-aminophenyl)sulfanylmethyl]-3-nitrobenzoic acid.
Chemical Property Profile of 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid
Property Insights of 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid has 2 hydrogen bond donor(s) and 6 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-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid?
The CAS number of 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid is 103439-90-3.
What is the molecular formula of 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid?
The molecular formula of 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid is C14H12N2O4S.
What is the molecular weight of 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid?
The molecular weight of 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid is 304.05 g/mol.
Where can I buy 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid?
You can request a quote for 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((4-Aminophenyl)thio)methyl)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.