TL;DR: Barbituric acid, 5-tert-butyl-5-ethyl- (CAS 15379-32-5) is a chemical compound with molecular formula C10H16N2O3 and molecular weight 212.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-5-ethyl-1,3-diazinane-2,4,6-trione
Also Known As: BARBITURIC ACID, 5-tert-BUTYL-5-ETHYL-, 5-t-butyl-5-ethylbarbituric acid, 5-tert-Butyl-5-ethylbarbituric acid, 5-tert-butyl-5-ethyl-1,3-diazinane-2,4,6-trione, 5-(1,1-Dimethylethyl)-5-ethylbarbituric acid
| Molecular Formula | C10H16N2O3 |
| Molecular Weight | 212.11609 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.11609 Da |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C(C)(C)C |
| InChIKey | DKRAUVNSWYTDCB-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-tert-butyl-5-ethyl-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-tert-butyl-5-ethyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-tert-butyl-5-ethyl- 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 Barbituric acid, 5-tert-butyl-5-ethyl- is 15379-32-5.
The molecular formula of Barbituric acid, 5-tert-butyl-5-ethyl- is C10H16N2O3.
The molecular weight of Barbituric acid, 5-tert-butyl-5-ethyl- is 212.11609 g/mol.
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