3-(Fluorosulfonyl)-4-methoxybenzoic acid
TL;DR: 3-(Fluorosulfonyl)-4-methoxybenzoic acid (CAS 199461-16-0) is a chemical compound with molecular formula C8H7FO5S and molecular weight 234.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluorosulfonyl-4-methoxybenzoic acid
Also Known As: 3-(FLUOROSULFONYL)-4-METHOXYBENZOIC ACID, 3-fluorosulfonyl-4-methoxybenzoic acid, Benzoic acid, 3-(fluorosulfonyl)-4-methoxy-, 3-fluorosulfonyl-4-methoxy-benzoic acid, 3-(FLUOROSULFONYL)-P-ANISIC ACID
| Molecular Formula | C8H7FO5S |
|---|---|
| Molecular Weight | 234.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.99982 |
| Heavy Atoms | 15 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 199461-16-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)F |
| InChIKey | TXPKNOFHNYQSLR-UHFFFAOYSA-N |
Product Overview
3-(Fluorosulfonyl)-4-methoxybenzoic acid (CAS 199461-16-0), with molecular formula C8H7FO5S and molecular weight 234.00 g/mol. IUPAC: 3-fluorosulfonyl-4-methoxybenzoic acid.
Chemical Property Profile of 3-(Fluorosulfonyl)-4-methoxybenzoic acid
Property Insights of 3-(Fluorosulfonyl)-4-methoxybenzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Fluorosulfonyl)-4-methoxybenzoic acid. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Fluorosulfonyl)-4-methoxybenzoic acid. Following Lipinski's Rule of Five, 3-(Fluorosulfonyl)-4-methoxybenzoic acid has 1 hydrogen bond donor(s) and 6 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-methoxybenzoic acid?
The CAS number of 3-(Fluorosulfonyl)-4-methoxybenzoic acid is 199461-16-0.
What is the molecular formula of 3-(Fluorosulfonyl)-4-methoxybenzoic acid?
The molecular formula of 3-(Fluorosulfonyl)-4-methoxybenzoic acid is C8H7FO5S.
What is the molecular weight of 3-(Fluorosulfonyl)-4-methoxybenzoic acid?
The molecular weight of 3-(Fluorosulfonyl)-4-methoxybenzoic acid is 234.00 g/mol.
Where can I buy 3-(Fluorosulfonyl)-4-methoxybenzoic acid?
You can request a quote for 3-(Fluorosulfonyl)-4-methoxybenzoic 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-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Fluorosulfonyl)-4-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.