![3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid structure](/static/products/794/794552-48-0.png)
3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid
TL;DR: 3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid (CAS 794552-48-0) is a chemical compound with molecular formula C14H12FNO4S and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
Also Known As: AQ-390/42699066, 3-{[(4-fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid, 3-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid, 3-(4-fluoro-2-methylphenylsulfonamido)benzoic acid
| Molecular Formula | C14H12FNO4S |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 2.63312 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.04712 |
| Heavy Atoms | 21 |
| Complexity | 802.37134 |
Chemical Identifiers
| CAS Number | 794552-48-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid (CAS 794552-48-0), with molecular formula C14H12FNO4S and molecular weight 309.05 g/mol. IUPAC: 3-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid
Property Insights of 3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid
The XLogP value of 2.63312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 3 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-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid?
The CAS number of 3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid is 794552-48-0.
What is the molecular formula of 3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid?
The molecular formula of 3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid is C14H12FNO4S.
What is the molecular weight of 3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid?
The molecular weight of 3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid is 309.05 g/mol.
Where can I buy 3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid?
You can request a quote for 3-{[(4-Fluoro-2-methylphenyl)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-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-Fluoro-2-methylphenyl)sulfonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.