![ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate structure](/static/products/3389/338979-07-0.webp)
ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate
TL;DR: ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate (CAS 338979-07-0) is a chemical compound with molecular formula C17H17ClF3N5O3 and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-cyanoprop-2-enoyl]carbamate
Also Known As: ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate, ethyl N-[3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-cyanoprop-2-enoyl]carbamate
| Molecular Formula | C17H17ClF3N5O3 |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 2.55598 |
| Topological Polar Surface Area | 98.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.0972 |
| Heavy Atoms | 29 |
| Complexity | 845.69574 |
Chemical Identifiers
| CAS Number | 338979-07-0 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C(=CN1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C#N |
Product Overview
ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate (CAS 338979-07-0), with molecular formula C17H17ClF3N5O3 and molecular weight 431.10 g/mol. IUPAC: ethyl N-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-cyanoprop-2-enoyl]carbamate.
Chemical Property Profile of ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate
Property Insights of ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate
The XLogP value of 2.55598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate. The TPSA of 98.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate. Following Lipinski's Rule of Five, ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate has 1 hydrogen bond donor(s) and 7 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 N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate?
The CAS number of ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate is 338979-07-0.
What is the molecular formula of ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate?
The molecular formula of ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate is C17H17ClF3N5O3.
What is the molecular weight of ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate?
The molecular weight of ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate is 431.10 g/mol.
Where can I buy ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate?
You can request a quote for ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)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-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyanoacryloyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.