5-methyl-4,6-dinitro-1H-benzimidazole
TL;DR: 5-methyl-4,6-dinitro-1H-benzimidazole (CAS 32046-81-4) is a chemical compound with molecular formula C8H6N4O4 and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4,6-dinitro-1H-benzimidazole
Also Known As: 5-methyl-4,6-dinitro-1H-benzimidazole, 4,6-dinitro-5-methylbenzimidazole, 1H-benzimidazole, 5-methyl-4,6-dinitro-
| Molecular Formula | C8H6N4O4 |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 1.68772 |
| Topological Polar Surface Area | 114.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.03891 |
| Heavy Atoms | 16 |
| Complexity | 603.34924 |
Chemical Identifiers
| CAS Number | 32046-81-4 |
|---|---|
| SMILES | CC1=C(C=C2C(=C1[N+](=O)[O-])N=CN2)[N+](=O)[O-] |
Product Overview
5-methyl-4,6-dinitro-1H-benzimidazole (CAS 32046-81-4), with molecular formula C8H6N4O4 and molecular weight 222.04 g/mol. IUPAC: 5-methyl-4,6-dinitro-1H-benzimidazole.
Chemical Property Profile of 5-methyl-4,6-dinitro-1H-benzimidazole
Property Insights of 5-methyl-4,6-dinitro-1H-benzimidazole
The XLogP value of 1.68772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4,6-dinitro-1H-benzimidazole. The TPSA of 114.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4,6-dinitro-1H-benzimidazole. Following Lipinski's Rule of Five, 5-methyl-4,6-dinitro-1H-benzimidazole has 1 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 5-methyl-4,6-dinitro-1H-benzimidazole?
The CAS number of 5-methyl-4,6-dinitro-1H-benzimidazole is 32046-81-4.
What is the molecular formula of 5-methyl-4,6-dinitro-1H-benzimidazole?
The molecular formula of 5-methyl-4,6-dinitro-1H-benzimidazole is C8H6N4O4.
What is the molecular weight of 5-methyl-4,6-dinitro-1H-benzimidazole?
The molecular weight of 5-methyl-4,6-dinitro-1H-benzimidazole is 222.04 g/mol.
Where can I buy 5-methyl-4,6-dinitro-1H-benzimidazole?
You can request a quote for 5-methyl-4,6-dinitro-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-4,6-dinitro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4,6-dinitro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.