5-Allyl-5-isopropyl-1-methylbarbituric acid
TL;DR: 5-Allyl-5-isopropyl-1-methylbarbituric acid (CAS 1861-21-8) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: Enallylpropymal, Narconumal, bucolome, Paramidine, Oxamic acid sodium salt
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16N2O3 |
| Molecular Weight | 224.11609 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.11609 Da |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
| SMILES | CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C |
| InChIKey | AXJXURWWUFZZKN-UHFFFAOYSA-N |
Chemical Property Profile of 5-Allyl-5-isopropyl-1-methylbarbituric acid
Property Insights of 5-Allyl-5-isopropyl-1-methylbarbituric acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Allyl-5-isopropyl-1-methylbarbituric acid. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Allyl-5-isopropyl-1-methylbarbituric acid. Following Lipinski's Rule of Five, 5-Allyl-5-isopropyl-1-methylbarbituric acid has 1 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-Allyl-5-isopropyl-1-methylbarbituric acid?
The CAS number of 5-Allyl-5-isopropyl-1-methylbarbituric acid is 1861-21-8.
What is the molecular formula of 5-Allyl-5-isopropyl-1-methylbarbituric acid?
The molecular formula of 5-Allyl-5-isopropyl-1-methylbarbituric acid is C11H16N2O3.
What is the molecular weight of 5-Allyl-5-isopropyl-1-methylbarbituric acid?
The molecular weight of 5-Allyl-5-isopropyl-1-methylbarbituric acid is 224.11609 g/mol.
Where can I buy 5-Allyl-5-isopropyl-1-methylbarbituric acid?
You can request a quote for 5-Allyl-5-isopropyl-1-methylbarbituric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Allyl-5-isopropyl-1-methylbarbituric acid?
Yes, CoreyChem provides custom synthesis services for 5-Allyl-5-isopropyl-1-methylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.