5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one
TL;DR: 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one (CAS 109317-94-4) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1,2-diphenylethyl)-5-hydroxy-1,3-diazinane-2,4,6-trione
Also Known As: Acide (diphenyl-1,2 ethyl)-5 hydroxy-5 barbiturique, 5-(1,2-Diphenylethyl)-5-hydroxy-2,4,6(1H,3H,5H)-pyrimidinetrione, Acide (diphenyl-1,2 ethyl)-5 hydroxy-5 barbiturique [French], 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1,2-diphenylethyl)-5-hydroxy-, 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one
Technical Specifications
| Molecular Formula | C18H16N2O4 |
| Molecular Weight | 324.111 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.111 Da |
| Heavy Atoms | 24 |
| Complexity | 487.0 |
| SMILES | C1=CC=C(C=C1)CC(C2=CC=CC=C2)C3(C(=O)NC(=O)NC3=O)O |
| InChIKey | LOXSJDZKIHRBKC-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one
Property Insights of 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one. Following Lipinski's Rule of Five, 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one has 3 hydrogen bond donor(s) and 4 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-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one?
The CAS number of 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one is 109317-94-4.
What is the molecular formula of 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one?
The molecular formula of 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one is C18H16N2O4.
What is the molecular weight of 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one?
The molecular weight of 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one is 324.111 g/mol.
Where can I buy 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one?
You can request a quote for 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one?
Yes, CoreyChem provides custom synthesis services for 5-(1,2-Diphenylethyl)-4,5,6-trihydroxypyrimidin-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.