TL;DR: 5-But-2-enyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CAS 67526-18-5) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-but-2-enyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: 5-but-2-enyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione, 5-[(E)-but-2-enyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H16N2O3 |
| Molecular Weight | 224.11609 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.11609 Da |
| Heavy Atoms | 16 |
| Complexity | 338.0 |
| SMILES | CC=CCC1(C(=O)NC(=O)NC1=O)C(C)C |
| InChIKey | KFXTVQFGVNYPEI-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-But-2-enyl-5-propan-2-yl-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-But-2-enyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-But-2-enyl-5-propan-2-yl-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.
The CAS number of 5-But-2-enyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is 67526-18-5.
The molecular formula of 5-But-2-enyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is C11H16N2O3.
The molecular weight of 5-But-2-enyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is 224.11609 g/mol.
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