Methyl 3-(fluorosulfonyl)benzoate
TL;DR: Methyl 3-(fluorosulfonyl)benzoate (CAS 124397-36-0) 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.
methyl 3-fluorosulfonylbenzoate
Also Known As: methyl 3-(fluorosulfonyl)benzoate, methyl 3-fluorosulfonylbenzoate, methyl3-(fluorosulfonyl)benzoate, 3-SO2F-C6H4-COOCH3, 3-Fluorosulfonylbenzoic acid methyl ester
| Molecular Formula | C8H7FO4S |
|---|---|
| Molecular Weight | 218.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.00491 |
| Heavy Atoms | 14 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 124397-36-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)S(=O)(=O)F |
| InChIKey | JEGFLTZACMZIDD-UHFFFAOYSA-N |
Product Overview
Methyl 3-(fluorosulfonyl)benzoate (CAS 124397-36-0), with molecular formula C8H7FO4S and molecular weight 218.00 g/mol. IUPAC: methyl 3-fluorosulfonylbenzoate.
Chemical Property Profile of Methyl 3-(fluorosulfonyl)benzoate
Property Insights of Methyl 3-(fluorosulfonyl)benzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(fluorosulfonyl)benzoate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(fluorosulfonyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-(fluorosulfonyl)benzoate has 0 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 Methyl 3-(fluorosulfonyl)benzoate?
The CAS number of Methyl 3-(fluorosulfonyl)benzoate is 124397-36-0.
What is the molecular formula of Methyl 3-(fluorosulfonyl)benzoate?
The molecular formula of Methyl 3-(fluorosulfonyl)benzoate is C8H7FO4S.
What is the molecular weight of Methyl 3-(fluorosulfonyl)benzoate?
The molecular weight of Methyl 3-(fluorosulfonyl)benzoate is 218.00 g/mol.
Where can I buy Methyl 3-(fluorosulfonyl)benzoate?
You can request a quote for Methyl 3-(fluorosulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(fluorosulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(fluorosulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.