![3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid structure](/static/products/6944/694479-60-2.webp)
3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid
TL;DR: 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid (CAS 694479-60-2) is a chemical compound with molecular formula C14H12N2O7S and molecular weight 352.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzoic acid
Also Known As: 3-(4-methoxy-3-nitrophenylsulfonamido)benzoic acid, 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]benzoic Acid, 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzoic acid, 3-{[(4-methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid
| Molecular Formula | C14H12N2O7S |
|---|---|
| Molecular Weight | 352.04 g/mol |
| LogP | 2.1024 |
| Topological Polar Surface Area | 135.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.03653 |
| Heavy Atoms | 24 |
| Complexity | 909.089 |
Chemical Identifiers
| CAS Number | 694479-60-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid (CAS 694479-60-2), with molecular formula C14H12N2O7S and molecular weight 352.04 g/mol. IUPAC: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid
Property Insights of 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid
The XLogP value of 2.1024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid. The TPSA of 135.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic 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 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid?
The CAS number of 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid is 694479-60-2.
What is the molecular formula of 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid?
The molecular formula of 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid is C14H12N2O7S.
What is the molecular weight of 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid?
The molecular weight of 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid is 352.04 g/mol.
Where can I buy 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid?
You can request a quote for 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.