2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole
TL;DR: 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole (CAS 96954-35-7) is a chemical compound with molecular formula C14H11N3O3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-6-nitro-1H-benzimidazole
Also Known As: 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole, 2-(4-methoxyphenyl)-6-nitro-1H-benzimidazole, 2-(4-Methoxy-phenyl)-5-nitro-1H-benzoimidazole, 2-(4-methoxyphenyl)-5-nitrobenzimidazole, 2-(4-methoxyphenyl)-5-nitro-1h-benzo[d]imidazole
| Molecular Formula | C14H11N3O3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 3.1467 |
| Topological Polar Surface Area | 81.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.08005 |
| Heavy Atoms | 20 |
| Complexity | 777.9634 |
Chemical Identifiers
| CAS Number | 96954-35-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole (CAS 96954-35-7), with molecular formula C14H11N3O3 and molecular weight 269.08 g/mol. IUPAC: 2-(4-methoxyphenyl)-6-nitro-1H-benzimidazole.
Chemical Property Profile of 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole
Property Insights of 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole
The XLogP value of 3.1467 indicates that 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole. Following Lipinski's Rule of Five, 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole 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-(4-methoxyphenyl)-5-nitro-1H-benzimidazole?
The CAS number of 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole is 96954-35-7.
What is the molecular formula of 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole?
The molecular formula of 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole is C14H11N3O3.
What is the molecular weight of 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole?
The molecular weight of 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole is 269.08 g/mol.
Where can I buy 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole?
You can request a quote for 2-(4-methoxyphenyl)-5-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 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.