![ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate structure](/static/products/3384/338415-42-2.webp)
ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate
TL;DR: ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate (CAS 338415-42-2) is a chemical compound with molecular formula C24H21ClF6N6O3 and molecular weight 590.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate
Also Known As: ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate, ethyl N-{3-[2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-5-(trifluoromethyl)anilino]-2-cyanoacryloyl}carbamate
| Molecular Formula | C24H21ClF6N6O3 |
|---|---|
| Molecular Weight | 590.13 g/mol |
| LogP | 5.19128 |
| Topological Polar Surface Area | 110.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 590.1268 |
| Heavy Atoms | 40 |
| Complexity | 1333.8478 |
Chemical Identifiers
| CAS Number | 338415-42-2 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C(=CNC1=C(C=CC(=C1)C(F)(F)F)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C#N |
Product Overview
ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate (CAS 338415-42-2), with molecular formula C24H21ClF6N6O3 and molecular weight 590.13 g/mol. IUPAC: ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate.
Chemical Property Profile of ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate
Property Insights of ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate
The XLogP value of 5.19128 indicates that ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate. Following Lipinski's Rule of Five, ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate?
The CAS number of ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate is 338415-42-2.
What is the molecular formula of ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate?
The molecular formula of ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate is C24H21ClF6N6O3.
What is the molecular weight of ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate?
The molecular weight of ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate is 590.13 g/mol.
Where can I buy ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate?
You can request a quote for ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enoyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.