2-(4-Chlorophenyl)-5-nitrobenzimidazole
TL;DR: 2-(4-Chlorophenyl)-5-nitrobenzimidazole (CAS 1571-87-5) is a chemical compound with molecular formula C13H8ClN3O2 and molecular weight 273.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-6-nitro-1H-benzimidazole
Also Known As: GABAA receptor agent 1, 2-(4-chlorophenyl)-5-nitrobenzimidazole, 2-(4-chlorophenyl)-5-nitro-1H-benzimidazole, 2-(4-chlorophenyl)-6-nitro-1H-benzimidazole, 2-(4-chlorophenyl)-6-nitro-1H-1,3-benzodiazole
| Molecular Formula | C13H8ClN3O2 |
|---|---|
| Molecular Weight | 273.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.03052 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 1571-87-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Cl |
| InChIKey | KJXNOHLXULKUIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)-5-nitrobenzimidazole (CAS 1571-87-5), with molecular formula C13H8ClN3O2 and molecular weight 273.03 g/mol. IUPAC: 2-(4-chlorophenyl)-6-nitro-1H-benzimidazole.
Chemical Property Profile of 2-(4-Chlorophenyl)-5-nitrobenzimidazole
Property Insights of 2-(4-Chlorophenyl)-5-nitrobenzimidazole
The XLogP value of 4.0 indicates that 2-(4-Chlorophenyl)-5-nitrobenzimidazole 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 2-(4-Chlorophenyl)-5-nitrobenzimidazole. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-5-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 2-(4-Chlorophenyl)-5-nitrobenzimidazole?
The CAS number of 2-(4-Chlorophenyl)-5-nitrobenzimidazole is 1571-87-5.
What is the molecular formula of 2-(4-Chlorophenyl)-5-nitrobenzimidazole?
The molecular formula of 2-(4-Chlorophenyl)-5-nitrobenzimidazole is C13H8ClN3O2.
What is the molecular weight of 2-(4-Chlorophenyl)-5-nitrobenzimidazole?
The molecular weight of 2-(4-Chlorophenyl)-5-nitrobenzimidazole is 273.03 g/mol.
Where can I buy 2-(4-Chlorophenyl)-5-nitrobenzimidazole?
You can request a quote for 2-(4-Chlorophenyl)-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-(4-Chlorophenyl)-5-nitrobenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-5-nitrobenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.