TL;DR: Barbituric acid, 5-(p-bromophenyl)-5-ethyl- (CAS 91570-85-3) is a chemical compound with molecular formula C12H11BrN2O3 and molecular weight 309.9953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-bromophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-(p-Bromophenyl)-5-ethylbarbituric acid, BARBITURIC ACID, 5-(p-BROMOPHENYL)-5-ETHYL-, Acido 5-(p-bromofenil)-5-etilbarbiturico, 5-(4-bromophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione, Acido 5-(p-bromofenil)-5-etilbarbiturico [Italian]
| Molecular Formula | C12H11BrN2O3 |
| Molecular Weight | 309.9953 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.9953 Da |
| Heavy Atoms | 18 |
| Complexity | 369.0 |
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)Br |
| InChIKey | SGLCADNTJHVTRA-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(p-bromophenyl)-5-ethyl-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(p-bromophenyl)-5-ethyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-(p-bromophenyl)-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-(p-bromophenyl)-5-ethyl- is 91570-85-3.
The molecular formula of Barbituric acid, 5-(p-bromophenyl)-5-ethyl- is C12H11BrN2O3.
The molecular weight of Barbituric acid, 5-(p-bromophenyl)-5-ethyl- is 309.9953 g/mol.
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