TL;DR: BARBITURIC ACID, 5-(o-CHLOROPHENYL)-5-ETHYL- (CAS 91398-23-1) is a chemical compound with molecular formula C12H11ClN2O3 and molecular weight 266.0458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-chlorophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-(o-Chlorophenyl)-5-ethylbarbituric acid, Acido 5-(o-clorofenil)-5-etilbarbiturico, BARBITURIC ACID, 5-(o-CHLOROPHENYL)-5-ETHYL-, 5- -5-ethyl-2,4,6 -pyrimidinetrione, 5-(2-chlorophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C12H11ClN2O3 |
| Molecular Weight | 266.0458 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.0458 Da |
| Heavy Atoms | 18 |
| Complexity | 377.0 |
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2Cl |
| InChIKey | GJUGAAIPOITKBH-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BARBITURIC ACID, 5-(o-CHLOROPHENYL)-5-ETHYL-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BARBITURIC ACID, 5-(o-CHLOROPHENYL)-5-ETHYL-. Following Lipinski's Rule of Five, BARBITURIC ACID, 5-(o-CHLOROPHENYL)-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-(o-CHLOROPHENYL)-5-ETHYL- is 91398-23-1.
The molecular formula of BARBITURIC ACID, 5-(o-CHLOROPHENYL)-5-ETHYL- is C12H11ClN2O3.
The molecular weight of BARBITURIC ACID, 5-(o-CHLOROPHENYL)-5-ETHYL- is 266.0458 g/mol.
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