3-(Fluorosulfonyl)benzoic acid
TL;DR: 3-(Fluorosulfonyl)benzoic acid (CAS 454-95-5) is a chemical compound with molecular formula C7H5FO4S and molecular weight 203.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluorosulfonylbenzoic acid
Also Known As: 3-(Fluorosulfonyl)benzoic acid, 3-fluorosulfonylbenzoic acid, Calycanthoside, 3-(Fluorosulphonyl)benzoic acid, 3- benzoicacid
| Molecular Formula | C7H5FO4S |
|---|---|
| Molecular Weight | 203.99 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.98926 |
| Heavy Atoms | 13 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 454-95-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)O |
| InChIKey | VWYMBWGOJRULOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Fluorosulfonyl)benzoic acid (CAS 454-95-5), with molecular formula C7H5FO4S and molecular weight 203.99 g/mol. IUPAC: 3-fluorosulfonylbenzoic acid.
Chemical Property Profile of 3-(Fluorosulfonyl)benzoic acid
Property Insights of 3-(Fluorosulfonyl)benzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Fluorosulfonyl)benzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Fluorosulfonyl)benzoic acid. Following Lipinski's Rule of Five, 3-(Fluorosulfonyl)benzoic 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 3-(Fluorosulfonyl)benzoic acid?
The CAS number of 3-(Fluorosulfonyl)benzoic acid is 454-95-5.
What is the molecular formula of 3-(Fluorosulfonyl)benzoic acid?
The molecular formula of 3-(Fluorosulfonyl)benzoic acid is C7H5FO4S.
What is the molecular weight of 3-(Fluorosulfonyl)benzoic acid?
The molecular weight of 3-(Fluorosulfonyl)benzoic acid is 203.99 g/mol.
Where can I buy 3-(Fluorosulfonyl)benzoic acid?
You can request a quote for 3-(Fluorosulfonyl)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-(Fluorosulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Fluorosulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.