5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
TL;DR: 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 1005064-14-1) is a chemical compound with molecular formula C13H12F4N2O3 and molecular weight 320.0784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one, AB00404197-04, 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, F1168-0179
Technical Specifications
| Molecular Formula | C13H12F4N2O3 |
| Molecular Weight | 320.0784 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.0784 Da |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
| SMILES | CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC(=CC=C2)F |
| InChIKey | JHDZPJDJVWEPKT-UHFFFAOYSA-N |
Chemical Property Profile of 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Property Insights of 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one. Following Lipinski's Rule of Five, 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The CAS number of 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is 1005064-14-1.
What is the molecular formula of 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular formula of 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is C13H12F4N2O3.
What is the molecular weight of 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular weight of 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is 320.0784 g/mol.
Where can I buy 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
You can request a quote for 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
Yes, CoreyChem provides custom synthesis services for 5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.