4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile
TL;DR: 4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile (CAS 154124-60-4) is a chemical compound with molecular formula C12H14N6 and molecular weight 242.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-4-(4-methylpiperazin-1-yl)buta-1,3-diene-1,1,3-tricarbonitrile
Also Known As: 4-amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile, 4-amino-4-(4-methylpiperazin-1-yl)buta-1,3-diene-1,1,3-tricarbonitrile, 3-[amino(4-methylpiperazin-1-yl)methylidene]prop-1-ene-1,1,3-tricarbonitrile
| Molecular Formula | C12H14N6 |
|---|---|
| Molecular Weight | 242.13 g/mol |
| LogP | -0.09876 |
| Topological Polar Surface Area | 103.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.12799 |
| Heavy Atoms | 18 |
| Complexity | 472.13135 |
Chemical Identifiers
| CAS Number | 154124-60-4 |
|---|---|
| SMILES | CN1CCN(CC1)C(=C(C=C(C#N)C#N)C#N)N |
Product Overview
4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile (CAS 154124-60-4), with molecular formula C12H14N6 and molecular weight 242.13 g/mol. IUPAC: 4-amino-4-(4-methylpiperazin-1-yl)buta-1,3-diene-1,1,3-tricarbonitrile.
Chemical Property Profile of 4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile
Property Insights of 4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile
The XLogP value of -0.09876 indicates that 4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile. Following Lipinski's Rule of Five, 4-Amino-4-(4-methylpiperazino)-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-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile?
The CAS number of 4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile is 154124-60-4.
What is the molecular formula of 4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile?
The molecular formula of 4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile is C12H14N6.
What is the molecular weight of 4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile?
The molecular weight of 4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile is 242.13 g/mol.
Where can I buy 4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile?
You can request a quote for 4-Amino-4-(4-methylpiperazino)-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-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.