2-(3-Nitrophenyl)-5-nitrobenzimidazole
TL;DR: 2-(3-Nitrophenyl)-5-nitrobenzimidazole (CAS 5969-91-5) 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-(3-nitrophenyl)-1H-benzimidazole
Also Known As: 2-(3-Nitrophenyl)-5-nitrobenzimidazole, 5-Nitro-2-(3-nitro-phenyl)-1H-benzoimidazole, 5-nitro-2-(3-nitrophenyl)benzimidazole, 6-nitro-2-(3-nitrophenyl)-1H-benzimidazole, BAS 00015715
| 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 | 421.0 |
Chemical Identifiers
| CAS Number | 5969-91-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | MIPOWFJJQUUMTF-UHFFFAOYSA-N |
Product Overview
2-(3-Nitrophenyl)-5-nitrobenzimidazole (CAS 5969-91-5), with molecular formula C13H8N4O4 and molecular weight 284.05 g/mol. IUPAC: 6-nitro-2-(3-nitrophenyl)-1H-benzimidazole.
Chemical Property Profile of 2-(3-Nitrophenyl)-5-nitrobenzimidazole
Property Insights of 2-(3-Nitrophenyl)-5-nitrobenzimidazole
The XLogP value of 3.3 indicates that 2-(3-Nitrophenyl)-5-nitrobenzimidazole 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 2-(3-Nitrophenyl)-5-nitrobenzimidazole. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-5-nitrobenzimidazole 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 2-(3-Nitrophenyl)-5-nitrobenzimidazole?
The CAS number of 2-(3-Nitrophenyl)-5-nitrobenzimidazole is 5969-91-5.
What is the molecular formula of 2-(3-Nitrophenyl)-5-nitrobenzimidazole?
The molecular formula of 2-(3-Nitrophenyl)-5-nitrobenzimidazole is C13H8N4O4.
What is the molecular weight of 2-(3-Nitrophenyl)-5-nitrobenzimidazole?
The molecular weight of 2-(3-Nitrophenyl)-5-nitrobenzimidazole is 284.05 g/mol.
Where can I buy 2-(3-Nitrophenyl)-5-nitrobenzimidazole?
You can request a quote for 2-(3-Nitrophenyl)-5-nitrobenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitrophenyl)-5-nitrobenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-5-nitrobenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.