2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate
TL;DR: 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate (CAS 104575-30-6) is a chemical compound with molecular formula C12H19N3O4 and molecular weight 269.13754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,2-dimethyl-5-nitroimidazol-4-yl)ethyl 2,2-dimethylpropanoate
Also Known As: 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate, 1,2-dimethyl-4-(2-hydroxyethyl)-5-nitroimidazole pivalate, Propanoic acid, 2,2-dimethyl-, 2-(1,2-dimethyl-5-nitro-1H-imidazol-4-yl)ethyl ester, 2-(1,2-dimethyl-5-nitroimidazol-4-yl)ethyl 2,2-dimethylpropanoate
Technical Specifications
| Molecular Formula | C12H19N3O4 |
| Molecular Weight | 269.13754 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.13754 Da |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
| SMILES | CC1=NC(=C(N1C)[N+](=O)[O-])CCOC(=O)C(C)(C)C |
| InChIKey | SQOPSLJSGFFVOL-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate
Property Insights of 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate. Following Lipinski's Rule of Five, 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate 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
What is the CAS number of 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate?
The CAS number of 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate is 104575-30-6.
What is the molecular formula of 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate?
The molecular formula of 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate is C12H19N3O4.
What is the molecular weight of 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate?
The molecular weight of 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate is 269.13754 g/mol.
Where can I buy 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate?
You can request a quote for 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate?
Yes, CoreyChem provides custom synthesis services for 2-(1,2-Dimethyl-5-nitro-1H-imidazol-4-yl)ethyl 2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.