1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro-
TL;DR: 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro- (CAS 67292-87-9) is a chemical compound with molecular formula C9H14ClN3O3 and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(4-nitro-2-propan-2-ylimidazol-2-yl)propan-2-ol
Also Known As: 1-(3-Chloro-2-hydroxypropyl)-2-isopropyl-5-nitroimidazole, 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro-, 1-chloro-3-(4-nitro-2-propan-2-ylimidazol-2-yl)propan-2-ol, 1-Chloro-3-[4-nitro-2-(propan-2-yl)-2H-imidazol-2-yl]propan-2-ol, alpha-(Chloromethyl)-2-isopropyl-5-nitro-2H-imidazole-2-ethanol
| Molecular Formula | C9H14ClN3O3 |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 1.0881 |
| Topological Polar Surface Area | 88.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.07237 |
| Heavy Atoms | 16 |
| Complexity | 342.8909 |
Chemical Identifiers
| CAS Number | 67292-87-9 |
|---|---|
| SMILES | CC(C)C1(N=CC(=N1)[N+](=O)[O-])CC(CCl)O |
Product Overview
1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro- (CAS 67292-87-9), with molecular formula C9H14ClN3O3 and molecular weight 247.07 g/mol. IUPAC: 1-chloro-3-(4-nitro-2-propan-2-ylimidazol-2-yl)propan-2-ol.
Chemical Property Profile of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro-
Property Insights of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro-
The XLogP value of 1.0881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro-. The TPSA of 88.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro-. Following Lipinski's Rule of Five, 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro- has 1 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 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro-?
The CAS number of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro- is 67292-87-9.
What is the molecular formula of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro-?
The molecular formula of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro- is C9H14ClN3O3.
What is the molecular weight of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro-?
The molecular weight of 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro- is 247.07 g/mol.
Where can I buy 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro-?
You can request a quote for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro- 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-isopropyl-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.