1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro-
TL;DR: 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro- (CAS 115-72-0) is a chemical compound with molecular formula C7H9ClN4O5 and molecular weight 264.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(2-methyl-4,5-dinitroimidazol-1-yl)propan-2-ol
Also Known As: Ornidazole Impurity 15, Ornidazole Impurity 37, 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro-, 1-chloro-3-(2-methyl-4,5-dinitro-1h-imidazol-1-yl)propan-2-ol, 1-chloro-3-(2-methyl-4,5-dinitroimidazol-1-yl)propan-2-ol
| Molecular Formula | C7H9ClN4O5 |
|---|---|
| Molecular Weight | 264.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.02615 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 115-72-0 |
|---|---|
| SMILES | CC1=NC(=C(N1CC(CCl)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AEOMUQQVEFVPDY-UHFFFAOYSA-N |
Product Overview
1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro- (CAS 115-72-0), with molecular formula C7H9ClN4O5 and molecular weight 264.03 g/mol. IUPAC: 1-chloro-3-(2-methyl-4,5-dinitroimidazol-1-yl)propan-2-ol.
Chemical Property Profile of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro-
Property Insights of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro-. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro-. Following Lipinski's Rule of Five, 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro- has 1 hydrogen bond donor(s) and 6 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 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro-?
The CAS number of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro- is 115-72-0.
What is the molecular formula of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro-?
The molecular formula of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro- is C7H9ClN4O5.
What is the molecular weight of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro-?
The molecular weight of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro- is 264.03 g/mol.
Where can I buy 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro-?
You can request a quote for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4,5-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.