![ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate structure](/static/products/1025/1025218-95-4.webp)
ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate
TL;DR: ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate (CAS 1025218-95-4) is a chemical compound with molecular formula C16H17F3N4O2 and molecular weight 354.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]prop-2-enoate
Also Known As: ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate, Ethyl 2-cyano-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-enoate, ethyl (2E)-2-cyano-3-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}prop-2-enoate
| Molecular Formula | C16H17F3N4O2 |
|---|---|
| Molecular Weight | 354.13 g/mol |
| LogP | 2.19298 |
| Topological Polar Surface Area | 69.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.13037 |
| Heavy Atoms | 25 |
| Complexity | 672.10565 |
Chemical Identifiers
| CAS Number | 1025218-95-4 |
|---|---|
| SMILES | CCOC(=O)C(=CN1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F)C#N |
Product Overview
ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate (CAS 1025218-95-4), with molecular formula C16H17F3N4O2 and molecular weight 354.13 g/mol. IUPAC: ethyl 2-cyano-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]prop-2-enoate.
Chemical Property Profile of ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate
Property Insights of ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate
The XLogP value of 2.19298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate. The TPSA of 69.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate. Following Lipinski's Rule of Five, ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate has 0 hydrogen bond donor(s) and 6 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 (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate?
The CAS number of ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate is 1025218-95-4.
What is the molecular formula of ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate?
The molecular formula of ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate is C16H17F3N4O2.
What is the molecular weight of ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate?
The molecular weight of ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate is 354.13 g/mol.
Where can I buy ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate?
You can request a quote for ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-2-cyano-3-{4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.