乙磺酸2,2,2-三氟乙酯
TL;DR: 乙磺酸2,2,2-三氟乙酯 (CAS 127649-10-9) is a chemical compound with molecular formula C4H7F3O3S and molecular weight 192.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙磺酸2,2,2-三氟乙酯
2,2,2-trifluoroethyl ethanesulfonate
Also Known As: 2,2,2-trifluoroethyl ethanesulfonate, CF3CH2OSO2CH2CH3, 2,2,2-Trifluoroethyl ester ethanesulfonic acid, 2,2,2-trifluoroethyl ethane-1-sulfonate, Ethanesulfonic acid,2,2,2-trifluoroethyl ester
| Molecular Formula | C4H7F3O3S |
|---|---|
| Molecular Weight | 192.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.0068 |
| Heavy Atoms | 11 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 127649-10-9 |
|---|---|
| SMILES | CCS(=O)(=O)OCC(F)(F)F |
| InChIKey | CZCZRQRPLMGCAE-UHFFFAOYSA-N |
Product Overview
乙磺酸2,2,2-三氟乙酯 (CAS 127649-10-9), with molecular formula C4H7F3O3S and molecular weight 192.01 g/mol. IUPAC: 2,2,2-trifluoroethyl ethanesulfonate.
Chemical Property Profile of 乙磺酸2,2,2-三氟乙酯
Property Insights of 乙磺酸2,2,2-三氟乙酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙磺酸2,2,2-三氟乙酯. With a topological polar surface area (TPSA) of 51.8 Ų, 乙磺酸2,2,2-三氟乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙磺酸2,2,2-三氟乙酯 has 0 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 乙磺酸2,2,2-三氟乙酯?
The CAS number of 乙磺酸2,2,2-三氟乙酯 is 127649-10-9.
What is the molecular formula of 乙磺酸2,2,2-三氟乙酯?
The molecular formula of 乙磺酸2,2,2-三氟乙酯 is C4H7F3O3S.
What is the molecular weight of 乙磺酸2,2,2-三氟乙酯?
The molecular weight of 乙磺酸2,2,2-三氟乙酯 is 192.01 g/mol.
Where can I buy 乙磺酸2,2,2-三氟乙酯?
You can request a quote for 乙磺酸2,2,2-三氟乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙磺酸2,2,2-三氟乙酯?
Yes, KEHONG BIO provides custom synthesis services for 乙磺酸2,2,2-三氟乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.