![ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate structure](/static/products/3379/337919-63-8.webp)
ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate
TL;DR: ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate (CAS 337919-63-8) is a chemical compound with molecular formula C15H18ClF3N4O2 and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-iminopropanoate
Also Known As: ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate, ethyl 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3-iminopropanoate, ethyl 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-3-iminopropanoate, ethyl 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-3-imino-propanoate, Ethyl 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3-imino-propanoate
| Molecular Formula | C15H18ClF3N4O2 |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 2.80627 |
| Topological Polar Surface Area | 69.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.10703 |
| Heavy Atoms | 25 |
| Complexity | 646.15393 |
Chemical Identifiers
| CAS Number | 337919-63-8 |
|---|---|
| SMILES | CCOC(=O)CC(=N)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate (CAS 337919-63-8), with molecular formula C15H18ClF3N4O2 and molecular weight 378.11 g/mol. IUPAC: ethyl 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-iminopropanoate.
Chemical Property Profile of ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate
Property Insights of ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate
The XLogP value of 2.80627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate. The TPSA of 69.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate. Following Lipinski's Rule of Five, ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate 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 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate?
The CAS number of ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate is 337919-63-8.
What is the molecular formula of ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate?
The molecular formula of ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate is C15H18ClF3N4O2.
What is the molecular weight of ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate?
The molecular weight of ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate is 378.11 g/mol.
Where can I buy ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate?
You can request a quote for ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.