2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one
TL;DR: 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one (CAS 127925-80-8) is a chemical compound with molecular formula C11H8N4O5 and molecular weight 276.04947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4,5-dinitroimidazol-1-yl)-1-phenylethanone
Also Known As: 1-phenacyl-4,5-dinitroimidazole, 2-(4,5-dinitroimidazol-1-yl)-1-phenylethanone, 2-(4,5-dinitroimidazolyl)-1-phenylethan-1-one, 2-(4,5-dinitroimidazol-1-yl)-1-phenyl-ethanone
Technical Specifications
| Molecular Formula | C11H8N4O5 |
| Molecular Weight | 276.04947 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.04947 Da |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CN2C=NC(=C2[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MDOYYVPZVUIEQJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one
Property Insights of 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one. Following Lipinski's Rule of Five, 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one has 0 hydrogen bond donor(s) and 6 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-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one?
The CAS number of 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one is 127925-80-8.
What is the molecular formula of 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one?
The molecular formula of 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one is C11H8N4O5.
What is the molecular weight of 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one?
The molecular weight of 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one is 276.04947 g/mol.
Where can I buy 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one?
You can request a quote for 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one?
Yes, CoreyChem provides custom synthesis services for 2-(4,5-Dinitroimidazolyl)-1-phenylethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.