![2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile structure](/static/products/3391/339102-94-2.webp)
2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile
TL;DR: 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile (CAS 339102-94-2) is a chemical compound with molecular formula C20H21ClF3N7O2 and molecular weight 483.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile
Also Known As: 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile, 2-[3-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethoxy)imino]-1-(dimethylamino)propylidene]malononitrile
| Molecular Formula | C20H21ClF3N7O2 |
|---|---|
| Molecular Weight | 483.14 g/mol |
| LogP | 2.65776 |
| Topological Polar Surface Area | 108.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.13974 |
| Heavy Atoms | 33 |
| Complexity | 988.3815 |
Chemical Identifiers
| CAS Number | 339102-94-2 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)CC=NOCC(=O)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile (CAS 339102-94-2), with molecular formula C20H21ClF3N7O2 and molecular weight 483.14 g/mol. IUPAC: 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile.
Chemical Property Profile of 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile
Property Insights of 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile
The XLogP value of 2.65776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile. The TPSA of 108.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile has 0 hydrogen bond donor(s) and 8 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-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile?
The CAS number of 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile is 339102-94-2.
What is the molecular formula of 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile?
The molecular formula of 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile is C20H21ClF3N7O2.
What is the molecular weight of 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile?
The molecular weight of 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile is 483.14 g/mol.
Where can I buy 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile?
You can request a quote for 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethoxy]imino-1-(dimethylamino)propylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.