5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
TL;DR: 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 474302-85-7) is a chemical compound with molecular formula C18H13ClF4N2O3 and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one, (4-chlorophenyl)[6-(4-fluorophenyl)-2,4-dihydroxy-4-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-5-yl]methanone, 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone, 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 5-[(4-chlorophenyl)carbonyl]-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C18H13ClF4N2O3 |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 3.583 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.05508 |
| Heavy Atoms | 28 |
| Complexity | 902.5419 |
Chemical Identifiers
| CAS Number | 474302-85-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Cl)F |
Product Overview
5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 474302-85-7), with molecular formula C18H13ClF4N2O3 and molecular weight 416.06 g/mol. IUPAC: 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Property Insights of 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
The XLogP value of 3.583 indicates that 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-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 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one. Following Lipinski's Rule of Five, 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The CAS number of 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is 474302-85-7.
What is the molecular formula of 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular formula of 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is C18H13ClF4N2O3.
What is the molecular weight of 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular weight of 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is 416.06 g/mol.
Where can I buy 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
You can request a quote for 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.