4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid
TL;DR: 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid (CAS 103439-97-0) is a chemical compound with molecular formula C15H13NO7S and molecular weight 351.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methoxyphenyl)sulfonylmethyl]-3-nitrobenzoic acid
Also Known As: 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid, 4-{[(4-methoxyphenyl)sulfonyl]methyl}-3-nitrobenzoic acid, 4-[(4-methoxyphenyl)sulfonylmethyl]-3-nitrobenzoic acid, Benzoic acid, 4-(((4-methoxyphenyl)sulfonyl)methyl)-3-nitro-, 4-[(4-methoxyphenyl)sulfonylmethyl]-3-nitro-benzoic acid
| Molecular Formula | C15H13NO7S |
|---|---|
| Molecular Weight | 351.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.04126 |
| Heavy Atoms | 24 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 103439-97-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | PQJXNANDUHDKQO-UHFFFAOYSA-N |
Product Overview
4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid (CAS 103439-97-0), with molecular formula C15H13NO7S and molecular weight 351.04 g/mol. IUPAC: 4-[(4-methoxyphenyl)sulfonylmethyl]-3-nitrobenzoic acid.
Chemical Property Profile of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid
Property Insights of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 7 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-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid?
The CAS number of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid is 103439-97-0.
What is the molecular formula of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid?
The molecular formula of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid is C15H13NO7S.
What is the molecular weight of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid?
The molecular weight of 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid is 351.04 g/mol.
Where can I buy 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid?
You can request a quote for 4-(((4-Methoxyphenyl)sulfonyl)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-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((4-Methoxyphenyl)sulfonyl)methyl)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.