5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 51291-11-3) is a chemical compound with molecular formula C10H12N2O5 and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-(3-oxobutanoyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 1,3-dimethyl-5-(3-oxobutanoyl)-1,3-diazinane-2,4,6-trione, 1,3-dimethyl-5-(3-oxobutanoyl)hexahydropyrimidine-2,4,6-trione
| Molecular Formula | C10H12N2O5 |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | -0.7988 |
| Topological Polar Surface Area | 91.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.07462 |
| Heavy Atoms | 17 |
| Complexity | 404.4122 |
Chemical Identifiers
| CAS Number | 51291-11-3 |
|---|---|
| SMILES | CC(=O)CC(=O)C1C(=O)N(C(=O)N(C1=O)C)C |
Product Overview
5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 51291-11-3), with molecular formula C10H12N2O5 and molecular weight 240.07 g/mol. IUPAC: 1,3-dimethyl-5-(3-oxobutanoyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of -0.7988 indicates that 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione has 0 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-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 51291-11-3.
What is the molecular formula of 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is C10H12N2O5.
What is the molecular weight of 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 240.07 g/mol.
Where can I buy 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-acetoacetyl-1,3-dimethyl-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-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-acetoacetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.