4-Nitrobenzimidazole
TL;DR: 4-Nitrobenzimidazole (CAS 116333-48-3) is a chemical compound with molecular formula C7H5N3O2 and molecular weight 163.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1H-benzimidazole
Also Known As: 7-nitro-1H-benzo[d]imidazole, 4-Nitrobenzimidazole, 4-Nitro-1H-benzimidazole, 4(7)-Nitrobenzimidazole, Benzimidazole, 4-nitro-
| Molecular Formula | C7H5N3O2 |
|---|---|
| Molecular Weight | 163.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.03818 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 116333-48-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])N=CN2 |
| InChIKey | NEJMFSBXFBFELK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzimidazole (CAS 116333-48-3), with molecular formula C7H5N3O2 and molecular weight 163.04 g/mol. IUPAC: 4-nitro-1H-benzimidazole.
Chemical Property Profile of 4-Nitrobenzimidazole
Property Insights of 4-Nitrobenzimidazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzimidazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzimidazole. Following Lipinski's Rule of Five, 4-Nitrobenzimidazole has 1 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 4-Nitrobenzimidazole?
The CAS number of 4-Nitrobenzimidazole is 116333-48-3.
What is the molecular formula of 4-Nitrobenzimidazole?
The molecular formula of 4-Nitrobenzimidazole is C7H5N3O2.
What is the molecular weight of 4-Nitrobenzimidazole?
The molecular weight of 4-Nitrobenzimidazole is 163.04 g/mol.
Where can I buy 4-Nitrobenzimidazole?
You can request a quote for 4-Nitrobenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.