2-(4-(Fluorosulfonyl)phenyl)acetic acid
TL;DR: 2-(4-(Fluorosulfonyl)phenyl)acetic acid (CAS 402-57-3) 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-fluorosulfonylphenyl)acetic acid
Also Known As: 2-[4-(fluorosulfonyl)phenyl]acetic acid, 2-(4-fluorosulfonylphenyl)acetic acid, 4-Fluorosulfonylphenylacetic acid, P-SO2F PHENYLACETIC ACID, 2-4-Fluorosulfonyl)phenylacetic Acid
| Molecular Formula | C8H7FO4S |
|---|---|
| Molecular Weight | 218.00 g/mol |
| LogP | 1.9 |
| 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 | 402-57-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)O)S(=O)(=O)F |
| InChIKey | VARMWPGASRMINF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-(Fluorosulfonyl)phenyl)acetic acid (CAS 402-57-3), with molecular formula C8H7FO4S and molecular weight 218.00 g/mol. IUPAC: 2-(4-fluorosulfonylphenyl)acetic acid.
Chemical Property Profile of 2-(4-(Fluorosulfonyl)phenyl)acetic acid
Property Insights of 2-(4-(Fluorosulfonyl)phenyl)acetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(Fluorosulfonyl)phenyl)acetic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(Fluorosulfonyl)phenyl)acetic acid. Following Lipinski's Rule of Five, 2-(4-(Fluorosulfonyl)phenyl)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 2-(4-(Fluorosulfonyl)phenyl)acetic acid?
The CAS number of 2-(4-(Fluorosulfonyl)phenyl)acetic acid is 402-57-3.
What is the molecular formula of 2-(4-(Fluorosulfonyl)phenyl)acetic acid?
The molecular formula of 2-(4-(Fluorosulfonyl)phenyl)acetic acid is C8H7FO4S.
What is the molecular weight of 2-(4-(Fluorosulfonyl)phenyl)acetic acid?
The molecular weight of 2-(4-(Fluorosulfonyl)phenyl)acetic acid is 218.00 g/mol.
Where can I buy 2-(4-(Fluorosulfonyl)phenyl)acetic acid?
You can request a quote for 2-(4-(Fluorosulfonyl)phenyl)acetic 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-(Fluorosulfonyl)phenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(Fluorosulfonyl)phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.