1-(2-Bromoethyl)-2-methyl-5-nitroimidazole
TL;DR: 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole (CAS 6058-57-7) is a chemical compound with molecular formula C6H8BrN3O2 and molecular weight 232.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromoethyl)-2-methyl-5-nitroimidazole
Also Known As: 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole, 1-(2-bromoethyl)-2-methyl-5-nitro-1h-imidazole, Imidazole, 1-(2-bromoethyl)-2-methyl-5-nitro-, KST-1B6339, 1- -2-methyl-5-nitro-1H-imidazole
| Molecular Formula | C6H8BrN3O2 |
|---|---|
| Molecular Weight | 232.98 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.98 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 6058-57-7 |
|---|---|
| SMILES | CC1=NC=C(N1CCBr)[N+](=O)[O-] |
| InChIKey | HCKPAAMFYJPGMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Bromoethyl)-2-methyl-5-nitroimidazole (CAS 6058-57-7), with molecular formula C6H8BrN3O2 and molecular weight 232.98 g/mol. IUPAC: 1-(2-bromoethyl)-2-methyl-5-nitroimidazole.
Chemical Property Profile of 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole
Property Insights of 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole. Following Lipinski's Rule of Five, 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole 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-(2-Bromoethyl)-2-methyl-5-nitroimidazole?
The CAS number of 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole is 6058-57-7.
What is the molecular formula of 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole?
The molecular formula of 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole is C6H8BrN3O2.
What is the molecular weight of 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole?
The molecular weight of 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole is 232.98 g/mol.
Where can I buy 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole?
You can request a quote for 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromoethyl)-2-methyl-5-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.