![3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile structure](/static/products/3031/303150-07-4.webp)
3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile
TL;DR: 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile (CAS 303150-07-4) is a chemical compound with molecular formula C21H18ClF4N5O2 and molecular weight 483.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]imino-2-(4-fluorophenyl)propanenitrile
Also Known As: 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile, 3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-2-(4-fluorophenyl)propanenitrile
| Molecular Formula | C21H18ClF4N5O2 |
|---|---|
| Molecular Weight | 483.11 g/mol |
| LogP | 3.85128 |
| Topological Polar Surface Area | 81.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.10852 |
| Heavy Atoms | 33 |
| Complexity | 1048.1011 |
Chemical Identifiers
| CAS Number | 303150-07-4 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)CON=CC(C#N)C3=CC=C(C=C3)F |
Product Overview
3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile (CAS 303150-07-4), with molecular formula C21H18ClF4N5O2 and molecular weight 483.11 g/mol. IUPAC: 3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]imino-2-(4-fluorophenyl)propanenitrile.
Chemical Property Profile of 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile
Property Insights of 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile
The XLogP value of 3.85128 indicates that 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)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 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile. Following Lipinski's Rule of Five, 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)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 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile?
The CAS number of 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile is 303150-07-4.
What is the molecular formula of 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile?
The molecular formula of 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile is C21H18ClF4N5O2.
What is the molecular weight of 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile?
The molecular weight of 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile is 483.11 g/mol.
Where can I buy 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile?
You can request a quote for 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-2-(4-fluorophenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.