Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate
TL;DR: Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate (CAS 52208-96-5) is a chemical compound with molecular formula C5H7F3O5S and molecular weight 236.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(trifluoromethylsulfonyloxy)acetate
Also Known As: TfO-CH2COOEt, Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate, ethyl 2-(trifluoromethylsulfonyloxy)acetate, ethoxycarbonylmethyl triflate, carbethoxy methyl trifluoromethanesulfonate
| Molecular Formula | C5H7F3O5S |
|---|---|
| Molecular Weight | 236.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.99663 |
| Heavy Atoms | 14 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 52208-96-5 |
|---|---|
| SMILES | CCOC(=O)COS(=O)(=O)C(F)(F)F |
| InChIKey | QWFJZCGIJRHYDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate (CAS 52208-96-5), with molecular formula C5H7F3O5S and molecular weight 236.00 g/mol. IUPAC: ethyl 2-(trifluoromethylsulfonyloxy)acetate.
Chemical Property Profile of Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate
Property Insights of Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate. Following Lipinski's Rule of Five, Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate has 0 hydrogen bond donor(s) and 8 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 Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate?
The CAS number of Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate is 52208-96-5.
What is the molecular formula of Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate?
The molecular formula of Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate is C5H7F3O5S.
What is the molecular weight of Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate?
The molecular weight of Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate is 236.00 g/mol.
Where can I buy Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate?
You can request a quote for Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.