(S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester
TL;DR: (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester (CAS 693287-28-4) is a chemical compound with molecular formula C11H9F3O3 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S)-2-(trifluoromethyl)oxirane-2-carboxylate
Also Known As: Benzyl 2-(trifluoromethyl)oxirane-2-carboxylate, (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester
| Molecular Formula | C11H9F3O3 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 2.0611 |
| Topological Polar Surface Area | 38.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.05038 |
| Heavy Atoms | 17 |
| Complexity | 409.71988 |
Chemical Identifiers
| CAS Number | 693287-28-4 |
|---|---|
| SMILES | C1[C@](O1)(C(=O)OCC2=CC=CC=C2)C(F)(F)F |
Product Overview
(S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester (CAS 693287-28-4), with molecular formula C11H9F3O3 and molecular weight 246.05 g/mol. IUPAC: benzyl (2S)-2-(trifluoromethyl)oxirane-2-carboxylate.
Chemical Property Profile of (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester
Property Insights of (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester
The XLogP value of 2.0611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester. With a topological polar surface area (TPSA) of 38.83 Ų, (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester 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 (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester?
The CAS number of (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester is 693287-28-4.
What is the molecular formula of (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester?
The molecular formula of (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester is C11H9F3O3.
What is the molecular weight of (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester?
The molecular weight of (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester is 246.05 g/mol.
Where can I buy (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester?
You can request a quote for (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for (S)-2,3-epoxy-2-trifluoromethylpropionic acid benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.