![4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile structure](/static/products/3387/338794-99-3.webp)
4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile
TL;DR: 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile (CAS 338794-99-3) is a chemical compound with molecular formula C16H14ClN7 and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]buta-1,3-diene-1,1,3-tricarbonitrile
Also Known As: 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile, 4-amino-4-[4-(6-chloropyridin-2-yl)piperazin-1-yl]buta-1,3-diene-1,1,3-tricarbonitrile
| Molecular Formula | C16H14ClN7 |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 1.52444 |
| Topological Polar Surface Area | 116.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.0999 |
| Heavy Atoms | 24 |
| Complexity | 782.9404 |
Chemical Identifiers
| CAS Number | 338794-99-3 |
|---|---|
| SMILES | C1CN(CCN1C2=NC(=CC=C2)Cl)C(=C(C=C(C#N)C#N)C#N)N |
Product Overview
4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile (CAS 338794-99-3), with molecular formula C16H14ClN7 and molecular weight 339.10 g/mol. IUPAC: 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]buta-1,3-diene-1,1,3-tricarbonitrile.
Chemical Property Profile of 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile
Property Insights of 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile
The XLogP value of 1.52444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile. The TPSA of 116.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile. Following Lipinski's Rule of Five, 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile 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 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile?
The CAS number of 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile is 338794-99-3.
What is the molecular formula of 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile?
The molecular formula of 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile is C16H14ClN7.
What is the molecular weight of 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile?
The molecular weight of 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile is 339.10 g/mol.
Where can I buy 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile?
You can request a quote for 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-4-[4-(6-chloro-2-pyridinyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.