1H-Benzimidazole, 5-nitro-2-phenyl-
TL;DR: 1H-Benzimidazole, 5-nitro-2-phenyl- (CAS 1571-85-3) is a chemical compound with molecular formula C13H9N3O2 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-phenyl-1H-benzimidazole
Also Known As: 6-NITRO-2-PHENYL-1H-BENZO[D]IMIDAZOLE, 6-nitro-2-phenyl-1H-benzimidazole, 1H-Benzimidazole, 5-nitro-2-phenyl-, 2-phenyl-5-nitrobenzimidazole, 1H-BENZIMIDAZOLE, 6-NITRO-2-PHENYL-
| Molecular Formula | C13H9N3O2 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.06947 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 1571-85-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | FHOXCSDDMCCTPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Benzimidazole, 5-nitro-2-phenyl- (CAS 1571-85-3), with molecular formula C13H9N3O2 and molecular weight 239.07 g/mol. IUPAC: 6-nitro-2-phenyl-1H-benzimidazole.
Chemical Property Profile of 1H-Benzimidazole, 5-nitro-2-phenyl-
Property Insights of 1H-Benzimidazole, 5-nitro-2-phenyl-
The XLogP value of 3.1 indicates that 1H-Benzimidazole, 5-nitro-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole, 5-nitro-2-phenyl-. Following Lipinski's Rule of Five, 1H-Benzimidazole, 5-nitro-2-phenyl- 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 1H-Benzimidazole, 5-nitro-2-phenyl-?
The CAS number of 1H-Benzimidazole, 5-nitro-2-phenyl- is 1571-85-3.
What is the molecular formula of 1H-Benzimidazole, 5-nitro-2-phenyl-?
The molecular formula of 1H-Benzimidazole, 5-nitro-2-phenyl- is C13H9N3O2.
What is the molecular weight of 1H-Benzimidazole, 5-nitro-2-phenyl-?
The molecular weight of 1H-Benzimidazole, 5-nitro-2-phenyl- is 239.07 g/mol.
Where can I buy 1H-Benzimidazole, 5-nitro-2-phenyl-?
You can request a quote for 1H-Benzimidazole, 5-nitro-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole, 5-nitro-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole, 5-nitro-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.