3-(2-Fluorobenzenesulfonyl)propanoic acid
TL;DR: 3-(2-Fluorobenzenesulfonyl)propanoic acid (CAS 874594-06-6) is a chemical compound with molecular formula C9H9FO4S and molecular weight 232.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)sulfonylpropanoic acid
Also Known As: 3-(2-fluorobenzenesulfonyl)propanoic acid, 3-[(2-fluorophenyl)sulfonyl]propanoic acid, 3-(2-fluorophenyl)sulfonylpropanoic Acid, 3-(2-fluorobenzenesulfonyl)propanoicacid, 103-205-4
| Molecular Formula | C9H9FO4S |
|---|---|
| Molecular Weight | 232.02 g/mol |
| LogP | 1.0741 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.02055 |
| Heavy Atoms | 15 |
| Complexity | 466.7556 |
Chemical Identifiers
| CAS Number | 874594-06-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)F)S(=O)(=O)CCC(=O)O |
Product Overview
3-(2-Fluorobenzenesulfonyl)propanoic acid (CAS 874594-06-6), with molecular formula C9H9FO4S and molecular weight 232.02 g/mol. IUPAC: 3-(2-fluorophenyl)sulfonylpropanoic acid.
Chemical Property Profile of 3-(2-Fluorobenzenesulfonyl)propanoic acid
Property Insights of 3-(2-Fluorobenzenesulfonyl)propanoic acid
The XLogP value of 1.0741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Fluorobenzenesulfonyl)propanoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Fluorobenzenesulfonyl)propanoic acid. Following Lipinski's Rule of Five, 3-(2-Fluorobenzenesulfonyl)propanoic acid has 1 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-(2-Fluorobenzenesulfonyl)propanoic acid?
The CAS number of 3-(2-Fluorobenzenesulfonyl)propanoic acid is 874594-06-6.
What is the molecular formula of 3-(2-Fluorobenzenesulfonyl)propanoic acid?
The molecular formula of 3-(2-Fluorobenzenesulfonyl)propanoic acid is C9H9FO4S.
What is the molecular weight of 3-(2-Fluorobenzenesulfonyl)propanoic acid?
The molecular weight of 3-(2-Fluorobenzenesulfonyl)propanoic acid is 232.02 g/mol.
Where can I buy 3-(2-Fluorobenzenesulfonyl)propanoic acid?
You can request a quote for 3-(2-Fluorobenzenesulfonyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Fluorobenzenesulfonyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Fluorobenzenesulfonyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.