2-氟乙基甲磺酸酯
TL;DR: 2-氟乙基甲磺酸酯 (CAS 461-31-4) is a chemical compound with molecular formula C3H7FO3S and molecular weight 142.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氟乙基甲磺酸酯
2-fluoroethyl methanesulfonate
Also Known As: 2-Fluoroethyl methanesulfonate, Fluoro(mesyloxy)ethane, Butanoyl fluoride, 2-Fluoroethylmethanesulfonate, Methanesulfonic acid, 2-fluoroethyl ester
| Molecular Formula | C3H7FO3S |
|---|---|
| Molecular Weight | 142.01 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.01 |
| Heavy Atoms | 8 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 461-31-4 |
|---|---|
| SMILES | CS(=O)(=O)OCCF |
| InChIKey | DLFIXPTUMHDGCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氟乙基甲磺酸酯 (CAS 461-31-4), with molecular formula C3H7FO3S and molecular weight 142.01 g/mol. IUPAC: 2-fluoroethyl methanesulfonate.
Chemical Property Profile of 2-氟乙基甲磺酸酯
Property Insights of 2-氟乙基甲磺酸酯
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氟乙基甲磺酸酯. With a topological polar surface area (TPSA) of 51.8 Ų, 2-氟乙基甲磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氟乙基甲磺酸酯 has 0 hydrogen bond donor(s) and 4 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 2-氟乙基甲磺酸酯?
The CAS number of 2-氟乙基甲磺酸酯 is 461-31-4.
What is the molecular formula of 2-氟乙基甲磺酸酯?
The molecular formula of 2-氟乙基甲磺酸酯 is C3H7FO3S.
What is the molecular weight of 2-氟乙基甲磺酸酯?
The molecular weight of 2-氟乙基甲磺酸酯 is 142.01 g/mol.
Where can I buy 2-氟乙基甲磺酸酯?
You can request a quote for 2-氟乙基甲磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氟乙基甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氟乙基甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.