![3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile structure](/static/products/1164/1164541-77-8.webp)
3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile
TL;DR: 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile (CAS 1164541-77-8) is a chemical compound with molecular formula C13H14Cl2N4 and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]prop-2-enenitrile
Also Known As: 3-amino-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]prop-2-enenitrile, 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile, 3-amino-3-[4-(3,4-dichlorophenyl)piperazino]acrylonitrile, 2-Propenenitrile, 3-amino-3-[4-(3,4-dichlorophenyl)-1-piperazinyl]-, (2Z)-
| Molecular Formula | C13H14Cl2N4 |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 2.43908 |
| Topological Polar Surface Area | 56.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.05954 |
| Heavy Atoms | 19 |
| Complexity | 527.935 |
Chemical Identifiers
| CAS Number | 1164541-77-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=CC#N)N |
Product Overview
3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile (CAS 1164541-77-8), with molecular formula C13H14Cl2N4 and molecular weight 296.06 g/mol. IUPAC: 3-amino-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]prop-2-enenitrile.
Chemical Property Profile of 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile
Property Insights of 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile
The XLogP value of 2.43908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile. With a topological polar surface area (TPSA) of 56.29 Ų, 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile has 1 hydrogen bond donor(s) and 4 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-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile?
The CAS number of 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile is 1164541-77-8.
What is the molecular formula of 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile?
The molecular formula of 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile is C13H14Cl2N4.
What is the molecular weight of 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile?
The molecular weight of 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile is 296.06 g/mol.
Where can I buy 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile?
You can request a quote for 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-[4-(3,4-dichlorophenyl)piperazino]-acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.