4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one
TL;DR: 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one (CAS 126664-28-6) is a chemical compound with molecular formula C8H11N3O3 and molecular weight 197.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-methyl-4-nitroimidazol-1-yl)butan-2-one
Also Known As: 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one, Maybridge1_002219, 4-(2-methyl-4-nitroimidazol-1-yl)butan-2-one, 2-Butanone,4-(2-methyl-4-nitro-1H-imidazol-1-yl)-, 2-Butanone, 4-(2-methyl-4-nitro-1H-imidazol-1-yl)-
Technical Specifications
| Molecular Formula | C8H11N3O3 |
| Molecular Weight | 197.08005 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.08005 Da |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
| SMILES | CC1=NC(=CN1CCC(=O)C)[N+](=O)[O-] |
| InChIKey | QVRUZNMMCTUEOM-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one
Property Insights of 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one
The XLogP value of -0.3 indicates that 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one. Following Lipinski's Rule of Five, 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one?
The CAS number of 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one is 126664-28-6.
What is the molecular formula of 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one?
The molecular formula of 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one is C8H11N3O3.
What is the molecular weight of 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one?
The molecular weight of 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one is 197.08005 g/mol.
Where can I buy 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one?
You can request a quote for 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one?
Yes, CoreyChem provides custom synthesis services for 4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.