5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
TL;DR: 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one (CAS 853783-14-9) is a chemical compound with molecular formula C13H13F3N2O3 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: J2.180.038D, 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one, 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, F1168-0175, 5-acetyl-4-hydroxy-4-trifluoromethyl-6-phenyl-hexahydropyrimidin-2-one
| Molecular Formula | C13H13F3N2O3 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 1.4966 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.08783 |
| Heavy Atoms | 21 |
| Complexity | 561.52997 |
Chemical Identifiers
| CAS Number | 853783-14-9 |
|---|---|
| SMILES | CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=CC=C2 |
Product Overview
5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one (CAS 853783-14-9), with molecular formula C13H13F3N2O3 and molecular weight 302.09 g/mol. IUPAC: 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
Property Insights of 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
The XLogP value of 1.4966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-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-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
The CAS number of 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one is 853783-14-9.
What is the molecular formula of 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
The molecular formula of 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one is C13H13F3N2O3.
What is the molecular weight of 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
The molecular weight of 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one is 302.09 g/mol.
Where can I buy 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
You can request a quote for 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.