TL;DR: Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl- (CAS 27512-03-4) is a chemical compound with molecular formula C18H24N2O5 and molecular weight 348.16852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: BARBITURIC ACID, 1,3-BIS(ETHOXYMETHYL)-5-ETHYL-5-PHENYL-, 1,3-Bis(ethoxymethyl)-5-ethyl-5-phenylbarbituric acid, 5-24-09-00291 (Beilstein Handbook Reference), 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione, BRN 0628778
| Molecular Formula | C18H24N2O5 |
| Molecular Weight | 348.16852 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 348.16852 Da |
| Heavy Atoms | 25 |
| Complexity | 472.0 |
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)COCC)COCC)C2=CC=CC=C2 |
| InChIKey | INJMAFDBGNBDKD-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-. Following Lipinski's Rule of Five, Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl- is 27512-03-4.
The molecular formula of Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl- is C18H24N2O5.
The molecular weight of Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl- is 348.16852 g/mol.
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