1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol
TL;DR: 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol (CAS 104575-38-4) 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-(1,4-dimethyl-5-nitroimidazol-2-yl)ethanol
Also Known As: 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol, 2-(1,4-dimethyl-5-nitroimidazol-2-yl)ethanol, 1H-Imidazole-2-ethanol, 1,4-dimethyl-5-nitro-, 1,4-dimethyl-2-(2-hydroxyethyl)-5-nitroimidazole, 2-(1,4-Dimethyl-5-nitro-1H-imidazol-2-yl)ethan-1-ol
| 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 | 104575-38-4 |
|---|---|
| SMILES | CC1=C(N(C(=N1)CCO)C)[N+](=O)[O-] |
| InChIKey | NADMOGUINHQDOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol (CAS 104575-38-4), with molecular formula C7H11N3O3 and molecular weight 185.08 g/mol. IUPAC: 2-(1,4-dimethyl-5-nitroimidazol-2-yl)ethanol.
Chemical Property Profile of 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol
Property Insights of 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol. Following Lipinski's Rule of Five, 1,4-Dimethyl-5-nitro-1H-imidazole-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 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol?
The CAS number of 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol is 104575-38-4.
What is the molecular formula of 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol?
The molecular formula of 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol is C7H11N3O3.
What is the molecular weight of 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol?
The molecular weight of 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol is 185.08 g/mol.
Where can I buy 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol?
You can request a quote for 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl-5-nitro-1H-imidazole-2-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.