C22H22F4N2O3
TL;DR: C22H22F4N2O3 (CAS 1005122-08-6) is a chemical compound with molecular formula C22H22F4N2O3 and molecular weight 438.15665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-tert-butylphenyl)-5-(4-fluorobenzoyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 6-(4-tert-butylphenyl)-5-(4-fluorobenzoyl)-4-hydroxy-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone, 6-(4-tert-butylphenyl)-5-(4-fluorobenzoyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one, 5-(4-fluorobenzoyl)-4-hydroxy-6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, 6-(4-(tert-butyl)phenyl)-5-(4-fluorobenzoyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 6-(4-tert-butylphenyl)-5-[(4-fluorophenyl)carbonyl]-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
Technical Specifications
| Molecular Formula | C22H22F4N2O3 |
| Molecular Weight | 438.15665 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.15665 Da |
| Heavy Atoms | 31 |
| Complexity | 677.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)F |
| InChIKey | APDVGRBZNXOVEU-UHFFFAOYSA-N |
Chemical Property Profile of C22H22F4N2O3
Property Insights of C22H22F4N2O3
The XLogP value of 4.8 indicates that C22H22F4N2O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H22F4N2O3. Following Lipinski's Rule of Five, C22H22F4N2O3 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 C22H22F4N2O3?
The CAS number of C22H22F4N2O3 is 1005122-08-6.
What is the molecular formula of C22H22F4N2O3?
The molecular formula of C22H22F4N2O3 is C22H22F4N2O3.
What is the molecular weight of C22H22F4N2O3?
The molecular weight of C22H22F4N2O3 is 438.15665 g/mol.
Where can I buy C22H22F4N2O3?
You can request a quote for C22H22F4N2O3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C22H22F4N2O3?
Yes, CoreyChem provides custom synthesis services for C22H22F4N2O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.