TL;DR: Barbituric acid, 5-ethyl-5-(beta-hydroxyphenethyl)- (CAS 15302-82-6) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-5-(2-hydroxy-2-phenylethyl)-1,3-diazinane-2,4,6-trione
Also Known As: EBBA, BARBITURIC ACID, 5-ETHYL-5-(beta-HYDROXYPHENETHYL)-, 5-25-03-00347 (Beilstein Handbook Reference), 5-Ethyl-5-(beta-hydroxy-beta-phenethyl)barbituric acid, 5-Etylo-5-(beta-hydroksy-beta-fenetylo)-barbiturowego
| Molecular Formula | C14H16N2O4 |
| Molecular Weight | 276.111 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.111 Da |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
| SMILES | CCC1(C(=O)NC(=O)NC1=O)CC(C2=CC=CC=C2)O |
| InChIKey | SWWWSLBUNHLWMB-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-(beta-hydroxyphenethyl)-. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-5-(beta-hydroxyphenethyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-(beta-hydroxyphenethyl)- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Barbituric acid, 5-ethyl-5-(beta-hydroxyphenethyl)- is 15302-82-6.
The molecular formula of Barbituric acid, 5-ethyl-5-(beta-hydroxyphenethyl)- is C14H16N2O4.
The molecular weight of Barbituric acid, 5-ethyl-5-(beta-hydroxyphenethyl)- is 276.111 g/mol.
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