![2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile structure](/static/products/4000/400076-75-7.webp)
2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile
TL;DR: 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile (CAS 400076-75-7) is a chemical compound with molecular formula C21H18Cl2F3N5O2 and molecular weight 499.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]iminopropanenitrile
Also Known As: 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile, 2-(4-chlorophenyl)-3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]iminopropanenitrile
| Molecular Formula | C21H18Cl2F3N5O2 |
|---|---|
| Molecular Weight | 499.08 g/mol |
| LogP | 4.36558 |
| Topological Polar Surface Area | 81.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.07898 |
| Heavy Atoms | 33 |
| Complexity | 1049.3462 |
Chemical Identifiers
| CAS Number | 400076-75-7 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)CON=CC(C#N)C3=CC=C(C=C3)Cl |
Product Overview
2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile (CAS 400076-75-7), with molecular formula C21H18Cl2F3N5O2 and molecular weight 499.08 g/mol. IUPAC: 2-(4-chlorophenyl)-3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]iminopropanenitrile.
Chemical Property Profile of 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile
Property Insights of 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile
The XLogP value of 4.36558 indicates that 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile 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 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile?
The CAS number of 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile is 400076-75-7.
What is the molecular formula of 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile?
The molecular formula of 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile is C21H18Cl2F3N5O2.
What is the molecular weight of 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile?
The molecular weight of 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile is 499.08 g/mol.
Where can I buy 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile?
You can request a quote for 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.