5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole
TL;DR: 5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole (CAS 1772-39-0) is a chemical compound with molecular formula C13H8N4O4 and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-(4-nitrophenyl)-1H-benzimidazole
Also Known As: 5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole, 6-Nitro-2-(4-nitrophenyl)-1H-benzo[d]imidazole, 6-nitro-2-(4-nitrophenyl)-1H-benzimidazole, 5-Nitro-2-(4-nitro-phenyl)-1H-benzoimidazole, 5-Nitro-2-(4-nitrophenyl)-1H-benzoimidazole
| Molecular Formula | C13H8N4O4 |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.05457 |
| Heavy Atoms | 21 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 1772-39-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XJIPBORERCFIIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole (CAS 1772-39-0), with molecular formula C13H8N4O4 and molecular weight 284.05 g/mol. IUPAC: 6-nitro-2-(4-nitrophenyl)-1H-benzimidazole.
Chemical Property Profile of 5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole
Property Insights of 5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole
The XLogP value of 3.3 indicates that 5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole. Following Lipinski's Rule of Five, 5-Nitro-2-(4-nitrophenyl)-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-Nitro-2-(4-nitrophenyl)-1H-benzimidazole?
The CAS number of 5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole is 1772-39-0.
What is the molecular formula of 5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole?
The molecular formula of 5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole is C13H8N4O4.
What is the molecular weight of 5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole?
The molecular weight of 5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole is 284.05 g/mol.
Where can I buy 5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole?
You can request a quote for 5-Nitro-2-(4-nitrophenyl)-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-Nitro-2-(4-nitrophenyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.