![4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile structure](/static/products/116/1164531-01-4.png)
4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile
TL;DR: 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile (CAS 1164531-01-4) is a chemical compound with molecular formula C17H15ClN6 and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-4-amino-4-[4-(4-chlorophenyl)piperazin-1-yl]buta-1,3-diene-1,1,3-tricarbonitrile
Also Known As: 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile, (3Z)-4-amino-4-[4-(4-chlorophenyl)piperazin-1-yl]buta-1,3-diene-1,1,3-tricarbonitrile, 4-Amino-4-(4-(4-chlorophenyl)piperazino)-1,3-butadiene-1,1,3-tricarbonitrile
| Molecular Formula | C17H15ClN6 |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 2.12944 |
| Topological Polar Surface Area | 103.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.10468 |
| Heavy Atoms | 24 |
| Complexity | 764.3453 |
Chemical Identifiers
| CAS Number | 1164531-01-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)Cl)/C(=C(/C=C(C#N)C#N)\C#N)/N |
Product Overview
4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile (CAS 1164531-01-4), with molecular formula C17H15ClN6 and molecular weight 338.10 g/mol. IUPAC: (3Z)-4-amino-4-[4-(4-chlorophenyl)piperazin-1-yl]buta-1,3-diene-1,1,3-tricarbonitrile.
Chemical Property Profile of 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile
Property Insights of 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile
The XLogP value of 2.12944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile. The TPSA of 103.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile. Following Lipinski's Rule of Five, 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile has 1 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 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile?
The CAS number of 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile is 1164531-01-4.
What is the molecular formula of 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile?
The molecular formula of 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile is C17H15ClN6.
What is the molecular weight of 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile?
The molecular weight of 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile is 338.10 g/mol.
Where can I buy 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile?
You can request a quote for 4-amino-4-[4-(4-chlorophenyl)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-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-4-[4-(4-chlorophenyl)piperazino]-1,3-butadiene-1,1,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.