2-Fluoroethyl ester ethanesulfonic acid
TL;DR: 2-Fluoroethyl ester ethanesulfonic acid (CAS 85650-15-3) is a chemical compound with molecular formula C4H9FO3S and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoroethyl ethanesulfonate
Also Known As: 2-fluoroethyl ethanesulfonate, 2-Fluoroethyl ester ethanesulfonic acid
| Molecular Formula | C4H9FO3S |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.02565 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 85650-15-3 |
|---|---|
| SMILES | CCS(=O)(=O)OCCF |
| InChIKey | YDTGNSAUYSHDAB-UHFFFAOYSA-N |
Product Overview
2-Fluoroethyl ester ethanesulfonic acid (CAS 85650-15-3), with molecular formula C4H9FO3S and molecular weight 156.03 g/mol. IUPAC: 2-fluoroethyl ethanesulfonate.
Chemical Property Profile of 2-Fluoroethyl ester ethanesulfonic acid
Property Insights of 2-Fluoroethyl ester ethanesulfonic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoroethyl ester ethanesulfonic acid. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Fluoroethyl ester ethanesulfonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoroethyl ester ethanesulfonic acid 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-Fluoroethyl ester ethanesulfonic acid?
The CAS number of 2-Fluoroethyl ester ethanesulfonic acid is 85650-15-3.
What is the molecular formula of 2-Fluoroethyl ester ethanesulfonic acid?
The molecular formula of 2-Fluoroethyl ester ethanesulfonic acid is C4H9FO3S.
What is the molecular weight of 2-Fluoroethyl ester ethanesulfonic acid?
The molecular weight of 2-Fluoroethyl ester ethanesulfonic acid is 156.03 g/mol.
Where can I buy 2-Fluoroethyl ester ethanesulfonic acid?
You can request a quote for 2-Fluoroethyl ester ethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoroethyl ester ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoroethyl ester ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.