alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol
TL;DR: alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol (CAS 131504-96-6) is a chemical compound with molecular formula C8H13BrN4O3 and molecular weight 292.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol
Also Known As: 1-[(2-bromoethyl)amino]-3-(2-nitro-1H-imidazol-1-yl)propan-2-ol, 1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol, (2R)-1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol, Alpha-(((2-bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol, alpha-[[(2-Bromoethyl)amino]methyl]-2-nitro-1H-imidazole-1-ethanol
| Molecular Formula | C8H13BrN4O3 |
|---|---|
| Molecular Weight | 292.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.0171 |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 131504-96-6 |
|---|---|
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])CC(CNCCBr)O |
| InChIKey | TYHFGYCQFVYKHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol (CAS 131504-96-6), with molecular formula C8H13BrN4O3 and molecular weight 292.02 g/mol. IUPAC: 1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol.
Chemical Property Profile of alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol
Property Insights of alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol
The XLogP value of -0.5 indicates that alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol. Following Lipinski's Rule of Five, alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol has 2 hydrogen bond donor(s) and 5 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 alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol?
The CAS number of alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol is 131504-96-6.
What is the molecular formula of alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol?
The molecular formula of alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol is C8H13BrN4O3.
What is the molecular weight of alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol?
The molecular weight of alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol is 292.02 g/mol.
Where can I buy alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol?
You can request a quote for alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.