1-(4-Nitroimidazolyl)acetone
TL;DR: 1-(4-Nitroimidazolyl)acetone (CAS 131394-03-1) is a chemical compound with molecular formula C6H7N3O3 and molecular weight 169.04874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitroimidazol-1-yl)propan-2-one
Also Known As: 1-acetonyl-4-nitroimidazole, 1-(4-nitroimidazolyl)acetone, ZERO/008016, 1-(4-nitroimidazol-1-yl)propan-2-one, 1-(4-nitro-1h-imidazol-1-yl)propan-2-one
Technical Specifications
| Molecular Formula | C6H7N3O3 |
| Molecular Weight | 169.04874 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.04874 Da |
| Heavy Atoms | 12 |
| Complexity | 201.0 |
| SMILES | CC(=O)CN1C=C(N=C1)[N+](=O)[O-] |
| InChIKey | DOFAIZHQYXMCJM-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Nitroimidazolyl)acetone
Property Insights of 1-(4-Nitroimidazolyl)acetone
The XLogP value of -0.4 indicates that 1-(4-Nitroimidazolyl)acetone 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 1-(4-Nitroimidazolyl)acetone. Following Lipinski's Rule of Five, 1-(4-Nitroimidazolyl)acetone 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 1-(4-Nitroimidazolyl)acetone?
The CAS number of 1-(4-Nitroimidazolyl)acetone is 131394-03-1.
What is the molecular formula of 1-(4-Nitroimidazolyl)acetone?
The molecular formula of 1-(4-Nitroimidazolyl)acetone is C6H7N3O3.
What is the molecular weight of 1-(4-Nitroimidazolyl)acetone?
The molecular weight of 1-(4-Nitroimidazolyl)acetone is 169.04874 g/mol.
Where can I buy 1-(4-Nitroimidazolyl)acetone?
You can request a quote for 1-(4-Nitroimidazolyl)acetone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Nitroimidazolyl)acetone?
Yes, CoreyChem provides custom synthesis services for 1-(4-Nitroimidazolyl)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.