4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate
TL;DR: 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate (CAS 53761-09-4) is a chemical compound with molecular formula C16H18N2O5 and molecular weight 318.12158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2,4,6-trioxo-5-(2-phenylethyl)-1,3-diazinan-5-yl] butanoate
Also Known As: 5-Butyryloxy-5-(1-phenylethyl)barbituric acid, Barbituric acid, 5-butyryloxy-5-(1-phenethyl)-, 5-25-03-00337 (Beilstein Handbook Reference), 2,4,6-trioxo-5-(2-phenylethyl)hexahydropyrimidin-5-yl butanoate, (2,4,6-trioxo-5-phenethyl-1,3-diazinan-5-yl) butanoate
Technical Specifications
| Molecular Formula | C16H18N2O5 |
| Molecular Weight | 318.12158 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.12158 Da |
| Heavy Atoms | 23 |
| Complexity | 477.0 |
| SMILES | CCCC(=O)OC1(C(=O)NC(=O)NC1=O)CCC2=CC=CC=C2 |
| InChIKey | FRCFCYBYJJVOBG-UHFFFAOYSA-N |
Chemical Property Profile of 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate
Property Insights of 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate. Following Lipinski's Rule of Five, 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate?
The CAS number of 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate is 53761-09-4.
What is the molecular formula of 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate?
The molecular formula of 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate is C16H18N2O5.
What is the molecular weight of 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate?
The molecular weight of 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate is 318.12158 g/mol.
Where can I buy 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate?
You can request a quote for 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate?
Yes, CoreyChem provides custom synthesis services for 4,6-Dihydroxy-2-oxo-5-(2-phenylethyl)-2,5-dihydropyrimidin-5-yl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.