5-(Fluorosulfonyl)-2-methylbenzoic acid
TL;DR: 5-(Fluorosulfonyl)-2-methylbenzoic acid (CAS 21346-65-6) 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.
5-fluorosulfonyl-2-methylbenzoic acid
Also Known As: 5-(Fluorosulfonyl)-2-methylbenzoic acid, 5-fluorosulfonyl-2-methylbenzoic acid, 5-fluorosulfonyl-2-methyl-benzoic acid, 5-(Fluorosulfonyl)-2-methylbenzoicacid, 817-905-9
| 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 | 21346-65-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)F)C(=O)O |
| InChIKey | VORKXFBYNXMVJD-UHFFFAOYSA-N |
Product Overview
5-(Fluorosulfonyl)-2-methylbenzoic acid (CAS 21346-65-6), with molecular formula C8H7FO4S and molecular weight 218.00 g/mol. IUPAC: 5-fluorosulfonyl-2-methylbenzoic acid.
Chemical Property Profile of 5-(Fluorosulfonyl)-2-methylbenzoic acid
Property Insights of 5-(Fluorosulfonyl)-2-methylbenzoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Fluorosulfonyl)-2-methylbenzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Fluorosulfonyl)-2-methylbenzoic acid. Following Lipinski's Rule of Five, 5-(Fluorosulfonyl)-2-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 5-(Fluorosulfonyl)-2-methylbenzoic acid?
The CAS number of 5-(Fluorosulfonyl)-2-methylbenzoic acid is 21346-65-6.
What is the molecular formula of 5-(Fluorosulfonyl)-2-methylbenzoic acid?
The molecular formula of 5-(Fluorosulfonyl)-2-methylbenzoic acid is C8H7FO4S.
What is the molecular weight of 5-(Fluorosulfonyl)-2-methylbenzoic acid?
The molecular weight of 5-(Fluorosulfonyl)-2-methylbenzoic acid is 218.00 g/mol.
Where can I buy 5-(Fluorosulfonyl)-2-methylbenzoic acid?
You can request a quote for 5-(Fluorosulfonyl)-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Fluorosulfonyl)-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Fluorosulfonyl)-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.