![Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate structure](/static/products/4390/439095-20-2.webp)
Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate
TL;DR: Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate (CAS 439095-20-2) is a chemical compound with molecular formula C17H18F3NO3 and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-ylidene]acetate
Also Known As: Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate, 3659AE, Ethyl 2-(1-(3-(trifluoromethyl)benzoyl)piperidin-4-ylidene)acetate, ethyl 2-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-ylidene]acetate, Ethyl {1-[3-(trifluoromethyl)benzoyl]piperidin-4-ylidene}acetate
| Molecular Formula | C17H18F3NO3 |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 3.4309 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.12387 |
| Heavy Atoms | 24 |
| Complexity | 642.726 |
Chemical Identifiers
| CAS Number | 439095-20-2 |
|---|---|
| SMILES | CCOC(=O)C=C1CCN(CC1)C(=O)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate (CAS 439095-20-2), with molecular formula C17H18F3NO3 and molecular weight 341.12 g/mol. IUPAC: ethyl 2-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-ylidene]acetate.
Chemical Property Profile of Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate
Property Insights of Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate
The XLogP value of 3.4309 indicates that Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate 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 Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate?
The CAS number of Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate is 439095-20-2.
What is the molecular formula of Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate?
The molecular formula of Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate is C17H18F3NO3.
What is the molecular weight of Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate?
The molecular weight of Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate is 341.12 g/mol.
Where can I buy Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate?
You can request a quote for Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}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-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{1-[3-(trifluoromethyl)benzoyl]-4-piperidinylidene}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.