5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
TL;DR: 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 1022424-95-8) is a chemical compound with molecular formula C21H21F3N2O5 and molecular weight 438.14026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one, VU0488898-1, 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, F1057-0429, 6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-5-(phenylcarbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
Technical Specifications
| Molecular Formula | C21H21F3N2O5 |
| Molecular Weight | 438.14026 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 96.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.14026 Da |
| Heavy Atoms | 31 |
| Complexity | 655.0 |
| SMILES | CCOC1=C(C=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3)OC |
| InChIKey | QHSNTKCALOCZCF-UHFFFAOYSA-N |
Chemical Property Profile of 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Property Insights of 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
The XLogP value of 3.3 indicates that 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one. Following Lipinski's Rule of Five, 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one has 3 hydrogen bond donor(s) and 8 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-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The CAS number of 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is 1022424-95-8.
What is the molecular formula of 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular formula of 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is C21H21F3N2O5.
What is the molecular weight of 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular weight of 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is 438.14026 g/mol.
Where can I buy 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
You can request a quote for 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-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-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
Yes, CoreyChem provides custom synthesis services for 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.