![2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid structure](/static/products/4284/428472-77-9.webp)
2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid
TL;DR: 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid (CAS 428472-77-9) is a chemical compound with molecular formula C16H15FN2O5S and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzoic acid
Also Known As: CBKinase1_001818, CBKinase1_014218, 2-({[4-fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid, AN-989/42063896, BRD-K61088902-001-01-3
| Molecular Formula | C16H15FN2O5S |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | 1.9286 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.06857 |
| Heavy Atoms | 25 |
| Complexity | 896.99603 |
Chemical Identifiers
| CAS Number | 428472-77-9 |
|---|---|
| SMILES | CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=C(C=C2)F |
Product Overview
2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid (CAS 428472-77-9), with molecular formula C16H15FN2O5S and molecular weight 366.07 g/mol. IUPAC: 2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzoic acid.
Chemical Property Profile of 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid
Property Insights of 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid
The XLogP value of 1.9286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid has 2 hydrogen bond donor(s) and 4 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 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid?
The CAS number of 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid is 428472-77-9.
What is the molecular formula of 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid?
The molecular formula of 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid is C16H15FN2O5S.
What is the molecular weight of 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid?
The molecular weight of 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid is 366.07 g/mol.
Where can I buy 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid?
You can request a quote for 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}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 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[4-Fluoro(methylsulfonyl)anilino]acetyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.