alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol
TL;DR: alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol (CAS 62580-79-4) is a chemical compound with molecular formula C7H10ClN3O4 and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]propan-2-ol
Also Known As: M1-Ornidazole, Ornidazole Impurity 2, Ornidazole Impurity 21, Ornidazole Impurity 26, alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol
| Molecular Formula | C7H10ClN3O4 |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | -0.1167 |
| Topological Polar Surface Area | 101.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.03598 |
| Heavy Atoms | 15 |
| Complexity | 354.00455 |
Chemical Identifiers
| CAS Number | 62580-79-4 |
|---|---|
| SMILES | C1=C(N(C(=N1)CO)CC(CCl)O)[N+](=O)[O-] |
Product Overview
alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol (CAS 62580-79-4), with molecular formula C7H10ClN3O4 and molecular weight 235.04 g/mol. IUPAC: 1-chloro-3-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]propan-2-ol.
Chemical Property Profile of alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol
Property Insights of alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol
The XLogP value of -0.1167 indicates that alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.42 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol. Following Lipinski's Rule of Five, alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-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-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol?
The CAS number of alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol is 62580-79-4.
What is the molecular formula of alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol?
The molecular formula of alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol is C7H10ClN3O4.
What is the molecular weight of alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol?
The molecular weight of alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol is 235.04 g/mol.
Where can I buy alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol?
You can request a quote for alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-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-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.