![ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate structure](/static/products/3384/338409-19-1.webp)
ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate
TL;DR: ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate (CAS 338409-19-1) is a chemical compound with molecular formula C19H18ClF3N6O2 and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate
Also Known As: ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate, ethyl 5-amino-5-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2,4-dicyano-2,4-pentadienoate
| Molecular Formula | C19H18ClF3N6O2 |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 2.58276 |
| Topological Polar Surface Area | 119.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.1132 |
| Heavy Atoms | 31 |
| Complexity | 985.82794 |
Chemical Identifiers
| CAS Number | 338409-19-1 |
|---|---|
| SMILES | CCOC(=O)C(=CC(=C(N)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C#N)C#N |
Product Overview
ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate (CAS 338409-19-1), with molecular formula C19H18ClF3N6O2 and molecular weight 454.11 g/mol. IUPAC: ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate.
Chemical Property Profile of ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate
Property Insights of ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate
The XLogP value of 2.58276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate. The TPSA of 119.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate. Following Lipinski's Rule of Five, ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate has 1 hydrogen bond donor(s) and 8 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 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate?
The CAS number of ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate is 338409-19-1.
What is the molecular formula of ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate?
The molecular formula of ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate is C19H18ClF3N6O2.
What is the molecular weight of ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate?
The molecular weight of ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate is 454.11 g/mol.
Where can I buy ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate?
You can request a quote for ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-amino-5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2,4-dicyanopenta-2,4-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.