1-Methyl-4-nitro-1H-benzimidazole
TL;DR: 1-Methyl-4-nitro-1H-benzimidazole (CAS 31493-66-0) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-nitrobenzimidazole
Also Known As: 1-methyl-4-nitrobenzimidazole, 1-Methyl-4-nitro-1H-benzo[d]imidazole, 4-Nitro-1-methylbenzimidazole, 1-methyl-4-nitro-1H-benzimidazole, 1H-Benzimidazole, 1-methyl-4-nitro-
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 1.4815 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 475.1939 |
Chemical Identifiers
| CAS Number | 31493-66-0 |
|---|---|
| SMILES | CN1C=NC2=C1C=CC=C2[N+](=O)[O-] |
Product Overview
1-Methyl-4-nitro-1H-benzimidazole (CAS 31493-66-0), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 1-methyl-4-nitrobenzimidazole.
Chemical Property Profile of 1-Methyl-4-nitro-1H-benzimidazole
Property Insights of 1-Methyl-4-nitro-1H-benzimidazole
The XLogP value of 1.4815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-nitro-1H-benzimidazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-nitro-1H-benzimidazole. Following Lipinski's Rule of Five, 1-Methyl-4-nitro-1H-benzimidazole has 0 hydrogen bond donor(s) and 3 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 1-Methyl-4-nitro-1H-benzimidazole?
The CAS number of 1-Methyl-4-nitro-1H-benzimidazole is 31493-66-0.
What is the molecular formula of 1-Methyl-4-nitro-1H-benzimidazole?
The molecular formula of 1-Methyl-4-nitro-1H-benzimidazole is C8H7N3O2.
What is the molecular weight of 1-Methyl-4-nitro-1H-benzimidazole?
The molecular weight of 1-Methyl-4-nitro-1H-benzimidazole is 177.05 g/mol.
Where can I buy 1-Methyl-4-nitro-1H-benzimidazole?
You can request a quote for 1-Methyl-4-nitro-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-nitro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-nitro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.