Barbituric acid, 5-benzyl-5-isopropenyl-
TL;DR: Barbituric acid, 5-benzyl-5-isopropenyl- (CAS 66942-00-5) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Benzyl-5-isopropenylbarbituric acid, BARBITURIC ACID, 5-BENZYL-5-ISOPROPENYL-, 4-24-00-02110 (Beilstein Handbook Reference), 5-benzyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione, 5-benzyl-5-(prop-1-en-2-yl)-1,3-diazinane-2,4,6-trione
Technical Specifications
| Molecular Formula | C14H14N2O3 |
| Molecular Weight | 258.10043 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.10043 Da |
| Heavy Atoms | 19 |
| Complexity | 416.0 |
| SMILES | CC(=C)C1(C(=O)NC(=O)NC1=O)CC2=CC=CC=C2 |
| InChIKey | BYRVWKNKWRRGJY-UHFFFAOYSA-N |
Chemical Property Profile of Barbituric acid, 5-benzyl-5-isopropenyl-
Property Insights of Barbituric acid, 5-benzyl-5-isopropenyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-benzyl-5-isopropenyl-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-benzyl-5-isopropenyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-benzyl-5-isopropenyl- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Barbituric acid, 5-benzyl-5-isopropenyl-?
The CAS number of Barbituric acid, 5-benzyl-5-isopropenyl- is 66942-00-5.
What is the molecular formula of Barbituric acid, 5-benzyl-5-isopropenyl-?
The molecular formula of Barbituric acid, 5-benzyl-5-isopropenyl- is C14H14N2O3.
What is the molecular weight of Barbituric acid, 5-benzyl-5-isopropenyl-?
The molecular weight of Barbituric acid, 5-benzyl-5-isopropenyl- is 258.10043 g/mol.
Where can I buy Barbituric acid, 5-benzyl-5-isopropenyl-?
You can request a quote for Barbituric acid, 5-benzyl-5-isopropenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Barbituric acid, 5-benzyl-5-isopropenyl-?
Yes, CoreyChem provides custom synthesis services for Barbituric acid, 5-benzyl-5-isopropenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.