4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate
TL;DR: 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate (CAS 55697-65-9) is a chemical compound with molecular formula C15H16N2O5 and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] propanoate
Also Known As: 5-Propionoxy-5-(1-phenylethyl)barbituric acid, Barbituric acid, 5-(1-phenethyl)-5-propionyloxy-, 5-(1-Phenylethyl)-5-propionyloxybarbituric acid, 5-25-03-00337 (Beilstein Handbook Reference), 2,4,6-trioxo-5-(1-phenylethyl)hexahydropyrimidin-5-yl propanoate
| Molecular Formula | C15H16N2O5 |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.10593 |
| Heavy Atoms | 22 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 55697-65-9 |
|---|---|
| SMILES | CCC(=O)OC1(C(=O)NC(=O)NC1=O)C(C)C2=CC=CC=C2 |
| InChIKey | CLFJVCIWWFEVMI-UHFFFAOYSA-N |
Product Overview
4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate (CAS 55697-65-9), with molecular formula C15H16N2O5 and molecular weight 304.11 g/mol. IUPAC: [2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] propanoate.
Chemical Property Profile of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate
Property Insights of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate. Following Lipinski's Rule of Five, 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate 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
Frequently Asked Questions
What is the CAS number of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate?
The CAS number of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate is 55697-65-9.
What is the molecular formula of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate?
The molecular formula of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate is C15H16N2O5.
What is the molecular weight of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate?
The molecular weight of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate is 304.11 g/mol.
Where can I buy 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate?
You can request a quote for 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.