1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)-
TL;DR: 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)- (CAS 72766-38-2) is a chemical compound with molecular formula C12H14N6O4 and molecular weight 306.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylpiperazin-1-yl)-4,6-dinitro-1H-benzimidazole
Also Known As: 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)-, 4,6-Dinitro-5-(4-methyl-1-piperazinyl)-1H-benzimidazole, 5-(4-methylpiperazin-1-yl)-4,6-dinitro-1H-benzimidazole, 5-(4-Methyl-1-piperazinyl)-4,6-dinitro-1H-benzimidazole, 5-(4-Methylpiperazin-1-yl)-4,6-dinitro-1H-1,3-benzimidazole
| Molecular Formula | C12H14N6O4 |
|---|---|
| Molecular Weight | 306.11 g/mol |
| LogP | 1.1311 |
| Topological Polar Surface Area | 121.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.10767 |
| Heavy Atoms | 22 |
| Complexity | 749.3996 |
Chemical Identifiers
| CAS Number | 72766-38-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-] |
Product Overview
1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)- (CAS 72766-38-2), with molecular formula C12H14N6O4 and molecular weight 306.11 g/mol. IUPAC: 5-(4-methylpiperazin-1-yl)-4,6-dinitro-1H-benzimidazole.
Chemical Property Profile of 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)-
Property Insights of 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)-
The XLogP value of 1.1311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)-. The TPSA of 121.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)-. Following Lipinski's Rule of Five, 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)- has 1 hydrogen bond donor(s) and 7 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 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)-?
The CAS number of 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)- is 72766-38-2.
What is the molecular formula of 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)-?
The molecular formula of 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)- is C12H14N6O4.
What is the molecular weight of 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)-?
The molecular weight of 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)- is 306.11 g/mol.
Where can I buy 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)-?
You can request a quote for 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole, 4,6-dinitro-5-(4-methyl-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.