5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione (CAS 67526-30-1) is a chemical compound with molecular formula C12H18N2O3 and molecular weight 238.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-but-2-enyl-5-sec-butyl-barbituric acid
Technical Specifications
| Molecular Formula | C12H18N2O3 |
| Molecular Weight | 238.13174 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.13174 Da |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
| SMILES | CCC(C)C1(C(=O)NC(=O)NC1=O)CC=CC |
| InChIKey | ALVQOQUBEGKONP-UHFFFAOYSA-N |
Chemical Property Profile of 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione is 67526-30-1.
What is the molecular formula of 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione is C12H18N2O3.
What is the molecular weight of 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione is 238.13174 g/mol.
Where can I buy 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione?
Yes, CoreyChem provides custom synthesis services for 5-Butan-2-yl-5-but-2-enyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.