5-bromo-1,2-dimethyl-4-nitro-1H-imidazole
TL;DR: 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole (CAS 21117-52-2) is a chemical compound with molecular formula C5H6BrN3O2 and molecular weight 218.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1,2-dimethyl-4-nitroimidazole
Also Known As: 5-Bromo-1,2-dimethyl-4-nitro-1H-imidazole, 5-BROMO-1,2-DIMETHYL-4-NITROIMIDAZOLE, 1H-Imidazole, 5-bromo-1,2-dimethyl-4-nitro-, 5-bromo-1,2-dimethyl-4-nitro-imidazole, 1,2-dimethyl-4-nitro-5-bromoimidazole
| Molecular Formula | C5H6BrN3O2 |
|---|---|
| Molecular Weight | 218.96 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.96434 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 21117-52-2 |
|---|---|
| SMILES | CC1=NC(=C(N1C)Br)[N+](=O)[O-] |
| InChIKey | DDNLLYFCHCFJAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-bromo-1,2-dimethyl-4-nitro-1H-imidazole (CAS 21117-52-2), with molecular formula C5H6BrN3O2 and molecular weight 218.96 g/mol. IUPAC: 5-bromo-1,2-dimethyl-4-nitroimidazole.
Chemical Property Profile of 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole
Property Insights of 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole. Following Lipinski's Rule of Five, 5-bromo-1,2-dimethyl-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 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole?
The CAS number of 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole is 21117-52-2.
What is the molecular formula of 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole?
The molecular formula of 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole is C5H6BrN3O2.
What is the molecular weight of 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole?
The molecular weight of 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole is 218.96 g/mol.
Where can I buy 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole?
You can request a quote for 5-bromo-1,2-dimethyl-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 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.