Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro-
TL;DR: Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro- (CAS 18504-27-3) 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-4-nitroimidazole
Also Known As: 1-(2-Bromoethyl)-2-methyl-4-nitroimidazole, Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro-, 5-23-05-00077 (Beilstein Handbook Reference), 1-(2-bromoethyl)-2-methyl-4-nitro-1H-imidazole, 1H-Imidazole,1-(2-bromoethyl)-2-methyl-4-nitro-
| Molecular Formula | C6H8BrN3O2 |
|---|---|
| Molecular Weight | 232.98 g/mol |
| LogP | 0.9 |
| 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 | 18504-27-3 |
|---|---|
| SMILES | CC1=NC(=CN1CCBr)[N+](=O)[O-] |
| InChIKey | CSQXNWZCQFPOFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro- (CAS 18504-27-3), with molecular formula C6H8BrN3O2 and molecular weight 232.98 g/mol. IUPAC: 1-(2-bromoethyl)-2-methyl-4-nitroimidazole.
Chemical Property Profile of Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro-
Property Insights of Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro-. Following Lipinski's Rule of Five, Imidazole, 1-(2-bromoethyl)-2-methyl-4-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, 1-(2-bromoethyl)-2-methyl-4-nitro-?
The CAS number of Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro- is 18504-27-3.
What is the molecular formula of Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro-?
The molecular formula of Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro- is C6H8BrN3O2.
What is the molecular weight of Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro-?
The molecular weight of Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro- is 232.98 g/mol.
Where can I buy Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro-?
You can request a quote for Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.