Imidazole, 4-bromo-1,2-dimethyl-5-nitro-
TL;DR: Imidazole, 4-bromo-1,2-dimethyl-5-nitro- (CAS 21431-58-3) 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.
4-bromo-1,2-dimethyl-5-nitroimidazole
Also Known As: 4-Bromo-1,2-dimethyl-5-nitro-1H-imidazole, starbld0031695, 4-BROMO-1,2-DIMETHYL-5-NITROIMIDAZOLE, Imidazole, 4-bromo-1,2-dimethyl-5-nitro-, 1H-Imidazole,4-bromo-1,2-dimethyl-5-nitro-
| Molecular Formula | C5H6BrN3O2 |
|---|---|
| Molecular Weight | 218.96 g/mol |
| LogP | 0.9 |
| 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 | 21431-58-3 |
|---|---|
| SMILES | CC1=NC(=C(N1C)[N+](=O)[O-])Br |
| InChIKey | ZNTMHCHYIKJJMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Imidazole, 4-bromo-1,2-dimethyl-5-nitro- (CAS 21431-58-3), with molecular formula C5H6BrN3O2 and molecular weight 218.96 g/mol. IUPAC: 4-bromo-1,2-dimethyl-5-nitroimidazole.
Chemical Property Profile of Imidazole, 4-bromo-1,2-dimethyl-5-nitro-
Property Insights of Imidazole, 4-bromo-1,2-dimethyl-5-nitro-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole, 4-bromo-1,2-dimethyl-5-nitro-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazole, 4-bromo-1,2-dimethyl-5-nitro-. Following Lipinski's Rule of Five, Imidazole, 4-bromo-1,2-dimethyl-5-nitro- 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 Imidazole, 4-bromo-1,2-dimethyl-5-nitro-?
The CAS number of Imidazole, 4-bromo-1,2-dimethyl-5-nitro- is 21431-58-3.
What is the molecular formula of Imidazole, 4-bromo-1,2-dimethyl-5-nitro-?
The molecular formula of Imidazole, 4-bromo-1,2-dimethyl-5-nitro- is C5H6BrN3O2.
What is the molecular weight of Imidazole, 4-bromo-1,2-dimethyl-5-nitro-?
The molecular weight of Imidazole, 4-bromo-1,2-dimethyl-5-nitro- is 218.96 g/mol.
Where can I buy Imidazole, 4-bromo-1,2-dimethyl-5-nitro-?
You can request a quote for Imidazole, 4-bromo-1,2-dimethyl-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole, 4-bromo-1,2-dimethyl-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Imidazole, 4-bromo-1,2-dimethyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.