1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester)
TL;DR: 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester) (CAS 104575-31-7) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 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)ethyl acetate
Also Known As: 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester), 1,2-Dimethyl-5-nitro-1H-imidazole-4-ethanol acetate (ester), 1,2-dimethyl-4-(2-hydroxyethyl)-5-nitroimidazole acetate, 2-(1,2-dimethyl-5-nitroimidazol-4-yl)ethyl acetate, 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl acetate
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 0.74232 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 424.63373 |
Chemical Identifiers
| CAS Number | 104575-31-7 |
|---|---|
| SMILES | CC1=NC(=C(N1C)[N+](=O)[O-])CCOC(=O)C |
Product Overview
1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester) (CAS 104575-31-7), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: 2-(1,2-dimethyl-5-nitroimidazol-4-yl)ethyl acetate.
Chemical Property Profile of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester)
Property Insights of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester)
The XLogP value of 0.74232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester). The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester). Following Lipinski's Rule of Five, 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester) has 0 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-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester)?
The CAS number of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester) is 104575-31-7.
What is the molecular formula of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester)?
The molecular formula of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester) is C9H13N3O4.
What is the molecular weight of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester)?
The molecular weight of 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester) is 227.09 g/mol.
Where can I buy 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester)?
You can request a quote for 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester) 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-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-4-ethanol, 1,2-dimethyl-5-nitro-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.