1-Benzyl-5-bromo-4-nitro-1h-imidazole
TL;DR: 1-Benzyl-5-bromo-4-nitro-1h-imidazole (CAS 4075-01-8) is a chemical compound with molecular formula C10H8BrN3O2 and molecular weight 280.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-bromo-4-nitroimidazole
Also Known As: 1-benzyl-5-bromo-4-nitro-1h-imidazole, 1-benzyl-5-bromo-4-nitroimidazole
| Molecular Formula | C10H8BrN3O2 |
|---|---|
| Molecular Weight | 280.98 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.97998 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 4075-01-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC(=C2Br)[N+](=O)[O-] |
| InChIKey | RRHSCVBBORUEOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-5-bromo-4-nitro-1h-imidazole (CAS 4075-01-8), with molecular formula C10H8BrN3O2 and molecular weight 280.98 g/mol. IUPAC: 1-benzyl-5-bromo-4-nitroimidazole.
Chemical Property Profile of 1-Benzyl-5-bromo-4-nitro-1h-imidazole
Property Insights of 1-Benzyl-5-bromo-4-nitro-1h-imidazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-5-bromo-4-nitro-1h-imidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-5-bromo-4-nitro-1h-imidazole. Following Lipinski's Rule of Five, 1-Benzyl-5-bromo-4-nitro-1h-imidazole has 0 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 1-Benzyl-5-bromo-4-nitro-1h-imidazole?
The CAS number of 1-Benzyl-5-bromo-4-nitro-1h-imidazole is 4075-01-8.
What is the molecular formula of 1-Benzyl-5-bromo-4-nitro-1h-imidazole?
The molecular formula of 1-Benzyl-5-bromo-4-nitro-1h-imidazole is C10H8BrN3O2.
What is the molecular weight of 1-Benzyl-5-bromo-4-nitro-1h-imidazole?
The molecular weight of 1-Benzyl-5-bromo-4-nitro-1h-imidazole is 280.98 g/mol.
Where can I buy 1-Benzyl-5-bromo-4-nitro-1h-imidazole?
You can request a quote for 1-Benzyl-5-bromo-4-nitro-1h-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-5-bromo-4-nitro-1h-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-5-bromo-4-nitro-1h-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.