3-(Fluorosulfonyl)-4-methylbenzoic acid
TL;DR: 3-(Fluorosulfonyl)-4-methylbenzoic acid (CAS 21322-93-0) 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.
3-fluorosulfonyl-4-methylbenzoic acid
Also Known As: 3-(fluorosulfonyl)-4-methylbenzoic acid, 3-fluorosulfonyl-4-methylbenzoic acid, 3-(fluorosulfonyl)-4-methylbenzoicacid, 3-fluorosulfonyl-4-methyl-benzoic acid, BENZOIC ACID,3-(FLUOROSULFONYL)-4-METHYL-
| Molecular Formula | C8H7FO4S |
|---|---|
| Molecular Weight | 218.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.00491 |
| Heavy Atoms | 14 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 21322-93-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)F |
| InChIKey | BANDUEHUKCIKIF-UHFFFAOYSA-N |
Product Overview
3-(Fluorosulfonyl)-4-methylbenzoic acid (CAS 21322-93-0), with molecular formula C8H7FO4S and molecular weight 218.00 g/mol. IUPAC: 3-fluorosulfonyl-4-methylbenzoic acid.
Chemical Property Profile of 3-(Fluorosulfonyl)-4-methylbenzoic acid
Property Insights of 3-(Fluorosulfonyl)-4-methylbenzoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Fluorosulfonyl)-4-methylbenzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Fluorosulfonyl)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(Fluorosulfonyl)-4-methylbenzoic 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)-4-methylbenzoic acid?
The CAS number of 3-(Fluorosulfonyl)-4-methylbenzoic acid is 21322-93-0.
What is the molecular formula of 3-(Fluorosulfonyl)-4-methylbenzoic acid?
The molecular formula of 3-(Fluorosulfonyl)-4-methylbenzoic acid is C8H7FO4S.
What is the molecular weight of 3-(Fluorosulfonyl)-4-methylbenzoic acid?
The molecular weight of 3-(Fluorosulfonyl)-4-methylbenzoic acid is 218.00 g/mol.
Where can I buy 3-(Fluorosulfonyl)-4-methylbenzoic acid?
You can request a quote for 3-(Fluorosulfonyl)-4-methylbenzoic 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)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Fluorosulfonyl)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.