1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-
TL;DR: 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro- (CAS 104575-27-1) is a chemical compound with molecular formula C7H11N3O3 and molecular weight 185.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2-dimethyl-5-nitroimidazol-4-yl)ethanol
Also Known As: 1,2-Dimethyl-5-nitro-1H-imidazole-4-ethanol, 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, 2-(1,2-dimethyl-5-nitroimidazol-4-yl)ethanol, 1,2-dimethyl-4-(2-hydroxyethyl)-5-nitroimidazole, 1,2-dimethyl-4-(2-hydroxyethyl) -5-nitroimidazole
| Molecular Formula | C7H11N3O3 |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.08005 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 104575-27-1 |
|---|---|
| SMILES | CC1=NC(=C(N1C)[N+](=O)[O-])CCO |
| InChIKey | IHYYHUZRCBWOGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro- (CAS 104575-27-1), with molecular formula C7H11N3O3 and molecular weight 185.08 g/mol. IUPAC: 2-(1,2-dimethyl-5-nitroimidazol-4-yl)ethanol.
Chemical Property Profile of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-
Property Insights of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-. Following Lipinski's Rule of Five, 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro- 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 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-?
The CAS number of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro- is 104575-27-1.
What is the molecular formula of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-?
The molecular formula of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro- is C7H11N3O3.
What is the molecular weight of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-?
The molecular weight of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro- is 185.08 g/mol.
Where can I buy 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-?
You can request a quote for 1H-Imidazole-4-ethanol, 1,2-dimethyl-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-4-ethanol, 1,2-dimethyl-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.