3-Ketoquinalbarbitone
TL;DR: 3-Ketoquinalbarbitone (CAS 13450-51-6) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-oxopentan-2-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 3-Ketoquinalbarbitone, 5-allyl-5-(1-methyl-3-oxo-butyl)-pyrimidine-2,4,6-trione, 5-(4-oxopentan-2-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, 5-Allyl-5-(1-methyl-3-oxobutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione #, 5-(4-oxopentan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1h,3h,5h)-trione
Technical Specifications
| Molecular Formula | C12H16N2O4 |
| Molecular Weight | 252.11101 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.11101 Da |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
| SMILES | CC(CC(=O)C)C1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | MQVKUINISCVIQU-UHFFFAOYSA-N |
Chemical Property Profile of 3-Ketoquinalbarbitone
Property Insights of 3-Ketoquinalbarbitone
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ketoquinalbarbitone. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ketoquinalbarbitone. Following Lipinski's Rule of Five, 3-Ketoquinalbarbitone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Ketoquinalbarbitone?
The CAS number of 3-Ketoquinalbarbitone is 13450-51-6.
What is the molecular formula of 3-Ketoquinalbarbitone?
The molecular formula of 3-Ketoquinalbarbitone is C12H16N2O4.
What is the molecular weight of 3-Ketoquinalbarbitone?
The molecular weight of 3-Ketoquinalbarbitone is 252.11101 g/mol.
Where can I buy 3-Ketoquinalbarbitone?
You can request a quote for 3-Ketoquinalbarbitone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ketoquinalbarbitone?
Yes, CoreyChem provides custom synthesis services for 3-Ketoquinalbarbitone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.