2-(Trifluoromethyl)-1,3-oxathiolan-5-one
TL;DR: 2-(Trifluoromethyl)-1,3-oxathiolan-5-one (CAS 79413-31-3) is a chemical compound with molecular formula C4H3F3O2S and molecular weight 171.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)-1,3-oxathiolan-5-one
Also Known As: 2-(trifluoromethyl)-1,3-oxathiolan-5-one, 2-trifluoromethyl-1,3-oxathiolan-5-one, J3.799.863J
| Molecular Formula | C4H3F3O2S |
|---|---|
| Molecular Weight | 171.98 g/mol |
| LogP | 1.1648 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.98059 |
| Heavy Atoms | 10 |
| Complexity | 155.07191 |
Chemical Identifiers
| CAS Number | 79413-31-3 |
|---|---|
| SMILES | C1C(=O)OC(S1)C(F)(F)F |
Product Overview
2-(Trifluoromethyl)-1,3-oxathiolan-5-one (CAS 79413-31-3), with molecular formula C4H3F3O2S and molecular weight 171.98 g/mol. IUPAC: 2-(trifluoromethyl)-1,3-oxathiolan-5-one.
Chemical Property Profile of 2-(Trifluoromethyl)-1,3-oxathiolan-5-one
Property Insights of 2-(Trifluoromethyl)-1,3-oxathiolan-5-one
The XLogP value of 1.1648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)-1,3-oxathiolan-5-one. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Trifluoromethyl)-1,3-oxathiolan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)-1,3-oxathiolan-5-one has 0 hydrogen bond donor(s) and 3 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-(Trifluoromethyl)-1,3-oxathiolan-5-one?
The CAS number of 2-(Trifluoromethyl)-1,3-oxathiolan-5-one is 79413-31-3.
What is the molecular formula of 2-(Trifluoromethyl)-1,3-oxathiolan-5-one?
The molecular formula of 2-(Trifluoromethyl)-1,3-oxathiolan-5-one is C4H3F3O2S.
What is the molecular weight of 2-(Trifluoromethyl)-1,3-oxathiolan-5-one?
The molecular weight of 2-(Trifluoromethyl)-1,3-oxathiolan-5-one is 171.98 g/mol.
Where can I buy 2-(Trifluoromethyl)-1,3-oxathiolan-5-one?
You can request a quote for 2-(Trifluoromethyl)-1,3-oxathiolan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)-1,3-oxathiolan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)-1,3-oxathiolan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.