5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
TL;DR: 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 1005122-89-3) is a chemical compound with molecular formula C20H18ClF3N2O4 and molecular weight 442.09073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one, 5-[(4-chlorophenyl)carbonyl]-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)- 1,3-diazaperhydroin-2-one
Technical Specifications
| Molecular Formula | C20H18ClF3N2O4 |
| Molecular Weight | 442.09073 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.09073 Da |
| Heavy Atoms | 30 |
| Complexity | 634.0 |
| SMILES | CCOC1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | OXYQSKGJXKRNST-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Property Insights of 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
The XLogP value of 3.9 indicates that 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-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 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one. Following Lipinski's Rule of Five, 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-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-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The CAS number of 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is 1005122-89-3.
What is the molecular formula of 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular formula of 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is C20H18ClF3N2O4.
What is the molecular weight of 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular weight of 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is 442.09073 g/mol.
Where can I buy 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
You can request a quote for 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-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-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
Yes, CoreyChem provides custom synthesis services for 5-(4-chlorobenzoyl)-6-(4-ethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.