2-Methyl-6-nitro-1h-benzimidazol-1-ol
TL;DR: 2-Methyl-6-nitro-1h-benzimidazol-1-ol (CAS 405314-01-4) is a chemical compound with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-2-methyl-6-nitrobenzimidazole
Also Known As: 2-methyl-6-nitro-1h-benzimidazol-1-ol, 1-hydroxy-2-methyl-6-nitrobenzimidazole, 2-Methyl-6-nitro-1H-benzo[d]imidazol-1-ol, 2-Methyl-6-nitro-1H-benzimidazole-1-ol, 1H-Benzimidazole, 2-methyl-5-nitro-, 3-oxide
| Molecular Formula | C8H7N3O3 |
|---|---|
| Molecular Weight | 193.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.04874 |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 405314-01-4 |
|---|---|
| SMILES | CC1=NC2=C(N1O)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | UWBNPKAUKQNJCM-UHFFFAOYSA-N |
Product Overview
2-Methyl-6-nitro-1h-benzimidazol-1-ol (CAS 405314-01-4), with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol. IUPAC: 1-hydroxy-2-methyl-6-nitrobenzimidazole.
Chemical Property Profile of 2-Methyl-6-nitro-1h-benzimidazol-1-ol
Property Insights of 2-Methyl-6-nitro-1h-benzimidazol-1-ol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-6-nitro-1h-benzimidazol-1-ol. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-6-nitro-1h-benzimidazol-1-ol. Following Lipinski's Rule of Five, 2-Methyl-6-nitro-1h-benzimidazol-1-ol has 1 hydrogen bond donor(s) and 4 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-Methyl-6-nitro-1h-benzimidazol-1-ol?
The CAS number of 2-Methyl-6-nitro-1h-benzimidazol-1-ol is 405314-01-4.
What is the molecular formula of 2-Methyl-6-nitro-1h-benzimidazol-1-ol?
The molecular formula of 2-Methyl-6-nitro-1h-benzimidazol-1-ol is C8H7N3O3.
What is the molecular weight of 2-Methyl-6-nitro-1h-benzimidazol-1-ol?
The molecular weight of 2-Methyl-6-nitro-1h-benzimidazol-1-ol is 193.05 g/mol.
Where can I buy 2-Methyl-6-nitro-1h-benzimidazol-1-ol?
You can request a quote for 2-Methyl-6-nitro-1h-benzimidazol-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-6-nitro-1h-benzimidazol-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-nitro-1h-benzimidazol-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.