![Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate structure](/static/products/3184/318469-57-7.webp)
Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate
TL;DR: Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate (CAS 318469-57-7) is a chemical compound with molecular formula C15H17F3N2O5S and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-oxo-1-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetate
Also Known As: Bionet1_001345, ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate, ethyl 2-{3-oxo-1-[3-(trifluoromethyl)benzenesulfonyl]piperazin-2-yl}acetate, ethyl 2-[3-oxo-1-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetate, ethyl 2-(3-oxo-1-(3-(trifluoromethyl)phenylsulfonyl)piperazin-2-yl)acetate
| Molecular Formula | C15H17F3N2O5S |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 1.1477 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.08102 |
| Heavy Atoms | 26 |
| Complexity | 794.71674 |
Chemical Identifiers
| CAS Number | 318469-57-7 |
|---|---|
| SMILES | CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F |
Product Overview
Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate (CAS 318469-57-7), with molecular formula C15H17F3N2O5S and molecular weight 394.08 g/mol. IUPAC: ethyl 2-[3-oxo-1-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetate.
Chemical Property Profile of Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate
Property Insights of Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate
The XLogP value of 1.1477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate has 1 hydrogen bond donor(s) and 5 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 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate?
The CAS number of Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate is 318469-57-7.
What is the molecular formula of Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate?
The molecular formula of Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate is C15H17F3N2O5S.
What is the molecular weight of Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate?
The molecular weight of Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate is 394.08 g/mol.
Where can I buy Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate?
You can request a quote for Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.