4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile
TL;DR: 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile (CAS 864718-33-2) is a chemical compound with molecular formula C12H14N4O2 and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylpiperazin-1-yl)-3-nitrobenzonitrile
Also Known As: 4-(4-methylpiperazin-1-yl)-3-nitrobenzonitrile, BB 0246415, 4-(4-methylpiperazin-1-yl)-3-nitro-benzonitrile, 4-(4-Methyl-piperazin-1-yl)-3-nitro-benzonitril e, 4-(4-Methyl-piperazin-1-yl)-3-nitro-benzonitrile
| Molecular Formula | C12H14N4O2 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 1.21828 |
| Topological Polar Surface Area | 73.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.11168 |
| Heavy Atoms | 18 |
| Complexity | 501.28915 |
Chemical Identifiers
| CAS Number | 864718-33-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-] |
Product Overview
4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile (CAS 864718-33-2), with molecular formula C12H14N4O2 and molecular weight 246.11 g/mol. IUPAC: 4-(4-methylpiperazin-1-yl)-3-nitrobenzonitrile.
Chemical Property Profile of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile
Property Insights of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile
The XLogP value of 1.21828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile. The TPSA of 73.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile. Following Lipinski's Rule of Five, 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile has 0 hydrogen bond donor(s) and 5 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-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile?
The CAS number of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile is 864718-33-2.
What is the molecular formula of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile?
The molecular formula of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile is C12H14N4O2.
What is the molecular weight of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile?
The molecular weight of 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile is 246.11 g/mol.
Where can I buy 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile?
You can request a quote for 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylpiperazin-1-yl)-3-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.