4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate
TL;DR: 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate (CAS 42839-91-8) is a chemical compound with molecular formula C14H14N2O5 and molecular weight 290.09 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] acetate
Also Known As: 5- -5- barbituricacid, 5-Acetoxy-5-(1-phenylethyl)barbituric acid, 5-(Acetoxy)-5-(1-phenylethyl)barbituric acid, Barbituric acid, 5-acetoxy-5-(1-phenethyl)-, 2,4,6-trioxo-5-(1-phenylethyl)hexahydropyrimidin-5-yl acetate
| Molecular Formula | C14H14N2O5 |
|---|---|
| Molecular Weight | 290.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.09027 |
| Heavy Atoms | 21 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 42839-91-8 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)C2(C(=O)NC(=O)NC2=O)OC(=O)C |
| InChIKey | KLPVACBCXCZPDM-UHFFFAOYSA-N |
Product Overview
4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate (CAS 42839-91-8), with molecular formula C14H14N2O5 and molecular weight 290.09 g/mol. IUPAC: [2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] acetate.
Chemical Property Profile of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate
Property Insights of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate. 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 acetate. Following Lipinski's Rule of Five, 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate 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 acetate?
The CAS number of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate is 42839-91-8.
What is the molecular formula of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate?
The molecular formula of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate is C14H14N2O5.
What is the molecular weight of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate?
The molecular weight of 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate is 290.09 g/mol.
Where can I buy 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate?
You can request a quote for 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate 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 acetate?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dihydroxy-2-oxo-5-(1-phenylethyl)-2,5-dihydropyrimidin-5-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.