(4-Fluoro-benzenesulfonyl)-acetic acid
TL;DR: (4-Fluoro-benzenesulfonyl)-acetic acid (CAS 383-38-0) is a chemical compound with molecular formula C8H7FO4S and molecular weight 218.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)sulfonylacetic acid
Also Known As: (4-Fluoro-benzenesulfonyl)-acetic acid, 2-(4-fluorophenyl)sulfonylacetic acid, (4-fluorobenzenesulfonyl)acetic acid, p-fluorophenylsulphonylacetic acid, (p-fluorophenylsulfonyl)acetic acid
| Molecular Formula | C8H7FO4S |
|---|---|
| Molecular Weight | 218.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.00491 |
| Heavy Atoms | 14 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 383-38-0 |
|---|---|
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)CC(=O)O |
| InChIKey | CMEDGBAZGURHOI-UHFFFAOYSA-N |
Product Overview
(4-Fluoro-benzenesulfonyl)-acetic acid (CAS 383-38-0), with molecular formula C8H7FO4S and molecular weight 218.00 g/mol. IUPAC: 2-(4-fluorophenyl)sulfonylacetic acid.
Chemical Property Profile of (4-Fluoro-benzenesulfonyl)-acetic acid
Property Insights of (4-Fluoro-benzenesulfonyl)-acetic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Fluoro-benzenesulfonyl)-acetic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Fluoro-benzenesulfonyl)-acetic acid. Following Lipinski's Rule of Five, (4-Fluoro-benzenesulfonyl)-acetic acid has 1 hydrogen bond donor(s) and 5 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-Fluoro-benzenesulfonyl)-acetic acid?
The CAS number of (4-Fluoro-benzenesulfonyl)-acetic acid is 383-38-0.
What is the molecular formula of (4-Fluoro-benzenesulfonyl)-acetic acid?
The molecular formula of (4-Fluoro-benzenesulfonyl)-acetic acid is C8H7FO4S.
What is the molecular weight of (4-Fluoro-benzenesulfonyl)-acetic acid?
The molecular weight of (4-Fluoro-benzenesulfonyl)-acetic acid is 218.00 g/mol.
Where can I buy (4-Fluoro-benzenesulfonyl)-acetic acid?
You can request a quote for (4-Fluoro-benzenesulfonyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Fluoro-benzenesulfonyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Fluoro-benzenesulfonyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.