TL;DR: Barbituric acid, 5-allyl-1,3-dicyclohexyl- (CAS 743-43-1) is a chemical compound with molecular formula C19H28N2O3 and molecular weight 332.21 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-1,3-dicyclohexylbarbituric acid, BARBITURIC ACID, 5-ALLYL-1,3-DICYCLOHEXYL-, 5-24-09-00215 (Beilstein Handbook Reference), 5-Allyl-1,3-dicyclohexyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-allyl-1,3-dicyclohexyl-
| Molecular Formula | C19H28N2O3 |
| Molecular Weight | 332.21 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.21 Da |
| Heavy Atoms | 24 |
| Complexity | 479.0 |
| SMILES | C=CCC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3 |
| InChIKey | VTHNOHNTKWFDGT-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Barbituric acid, 5-allyl-1,3-dicyclohexyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, Barbituric acid, 5-allyl-1,3-dicyclohexyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barbituric acid, 5-allyl-1,3-dicyclohexyl- has 0 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 Barbituric acid, 5-allyl-1,3-dicyclohexyl- is 743-43-1.
The molecular formula of Barbituric acid, 5-allyl-1,3-dicyclohexyl- is C19H28N2O3.
The molecular weight of Barbituric acid, 5-allyl-1,3-dicyclohexyl- is 332.21 g/mol.
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