![2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile structure](/static/products/3297/329778-08-7.webp)
2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile
TL;DR: 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile (CAS 329778-08-7) is a chemical compound with molecular formula C21H19N5O2 and molecular weight 373.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylidene]propanedinitrile
Also Known As: 2-{[4-(4-benzylpiperazino)-3-nitrophenyl]methylene}malononitrile, 2-{[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylidene}propanedinitrile, 2-[[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylidene]propanedinitrile, 2-[[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]methylene]propanedinitrile, 2-[[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]methylidene]propanedinitrile
| Molecular Formula | C21H19N5O2 |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 3.34756 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.15387 |
| Heavy Atoms | 28 |
| Complexity | 948.5258 |
Chemical Identifiers
| CAS Number | 329778-08-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C=C(C#N)C#N)[N+](=O)[O-] |
Product Overview
2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile (CAS 329778-08-7), with molecular formula C21H19N5O2 and molecular weight 373.15 g/mol. IUPAC: 2-[[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylidene]propanedinitrile.
Chemical Property Profile of 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile
Property Insights of 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile
The XLogP value of 3.34756 indicates that 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile. Following Lipinski's Rule of Five, 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile has 0 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 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile?
The CAS number of 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile is 329778-08-7.
What is the molecular formula of 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile?
The molecular formula of 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile is C21H19N5O2.
What is the molecular weight of 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile?
The molecular weight of 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile is 373.15 g/mol.
Where can I buy 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile?
You can request a quote for 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-Benzylpiperazino)-3-nitrophenyl]methylene}malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.