1-Methyl-5-nitroimidazole-2-ethanol
TL;DR: 1-Methyl-5-nitroimidazole-2-ethanol (CAS 17613-26-2) is a chemical compound with molecular formula C6H9N3O3 and molecular weight 171.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyl-5-nitroimidazol-2-yl)ethanol
Also Known As: Ipronidazole metabolite B, 1-Methyl-5-nitroimidazole-2-ethanol, 2-(1-methyl-5-nitroimidazol-2-yl)ethanol, Imidazole-2-ethanol, 1-methyl-5-nitro-, MSK159150-100M
| Molecular Formula | C6H9N3O3 |
|---|---|
| Molecular Weight | 171.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.06439 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 17613-26-2 |
|---|---|
| SMILES | CN1C(=CN=C1CCO)[N+](=O)[O-] |
| InChIKey | WTZSZHBIEVMQTN-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-nitroimidazole-2-ethanol (CAS 17613-26-2), with molecular formula C6H9N3O3 and molecular weight 171.06 g/mol. IUPAC: 2-(1-methyl-5-nitroimidazol-2-yl)ethanol.
Chemical Property Profile of 1-Methyl-5-nitroimidazole-2-ethanol
Property Insights of 1-Methyl-5-nitroimidazole-2-ethanol
The XLogP value of -0.6 indicates that 1-Methyl-5-nitroimidazole-2-ethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-nitroimidazole-2-ethanol. Following Lipinski's Rule of Five, 1-Methyl-5-nitroimidazole-2-ethanol has 1 hydrogen bond donor(s) and 4 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-Methyl-5-nitroimidazole-2-ethanol?
The CAS number of 1-Methyl-5-nitroimidazole-2-ethanol is 17613-26-2.
What is the molecular formula of 1-Methyl-5-nitroimidazole-2-ethanol?
The molecular formula of 1-Methyl-5-nitroimidazole-2-ethanol is C6H9N3O3.
What is the molecular weight of 1-Methyl-5-nitroimidazole-2-ethanol?
The molecular weight of 1-Methyl-5-nitroimidazole-2-ethanol is 171.06 g/mol.
Where can I buy 1-Methyl-5-nitroimidazole-2-ethanol?
You can request a quote for 1-Methyl-5-nitroimidazole-2-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-5-nitroimidazole-2-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-nitroimidazole-2-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.