5-Ethyl-5,4'-tolylbarbituric acid
TL;DR: 5-Ethyl-5,4'-tolylbarbituric acid (CAS 52584-39-1) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-5-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: tolylbarb, Tolylbarbital, Tolybarbital, 5-Ethyl-5-p-tolylbarbituric acid, p-Methylphenobarbital
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H14N2O3 |
| Molecular Weight | 246.10045 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.10045 Da |
| Heavy Atoms | 18 |
| Complexity | 364.0 |
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)C |
| InChIKey | ZYJDWGKPBQDCBX-UHFFFAOYSA-N |
Chemical Property Profile of 5-Ethyl-5,4'-tolylbarbituric acid
Property Insights of 5-Ethyl-5,4'-tolylbarbituric acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-5,4'-tolylbarbituric acid. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-5,4'-tolylbarbituric acid. Following Lipinski's Rule of Five, 5-Ethyl-5,4'-tolylbarbituric acid 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 5-Ethyl-5,4'-tolylbarbituric acid?
The CAS number of 5-Ethyl-5,4'-tolylbarbituric acid is 52584-39-1.
What is the molecular formula of 5-Ethyl-5,4'-tolylbarbituric acid?
The molecular formula of 5-Ethyl-5,4'-tolylbarbituric acid is C13H14N2O3.
What is the molecular weight of 5-Ethyl-5,4'-tolylbarbituric acid?
The molecular weight of 5-Ethyl-5,4'-tolylbarbituric acid is 246.10045 g/mol.
Where can I buy 5-Ethyl-5,4'-tolylbarbituric acid?
You can request a quote for 5-Ethyl-5,4'-tolylbarbituric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Ethyl-5,4'-tolylbarbituric acid?
Yes, CoreyChem provides custom synthesis services for 5-Ethyl-5,4'-tolylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.