5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 51291-13-5) is a chemical compound with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-oxobutanoyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-(3-oxobutanoyl)-1,3-diazinane-2,4,6-trione, 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 11A-058
| Molecular Formula | C8H8N2O5 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | -1.4832 |
| Topological Polar Surface Area | 109.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.04332 |
| Heavy Atoms | 15 |
| Complexity | 353.22833 |
Chemical Identifiers
| CAS Number | 51291-13-5 |
|---|---|
| SMILES | CC(=O)CC(=O)C1C(=O)NC(=O)NC1=O |
Product Overview
5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 51291-13-5), with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol. IUPAC: 5-(3-oxobutanoyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of -1.4832 indicates that 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione 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 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 51291-13-5.
What is the molecular formula of 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione is C8H8N2O5.
What is the molecular weight of 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 212.04 g/mol.
Where can I buy 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-acetoacetyl-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.