5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid
TL;DR: 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid (CAS 55282-17-2) is a chemical compound with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-phenylpropan-2-yl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid, 5-24-09-00249 (Beilstein Handbook Reference), Barbituric acid, 5,5-diallyl-1-(alpha-methylphenethyl)-, 1-(1-phenylpropan-2-yl)-5,5-di(prop-2-en-1-yl)pyrimidine-2,4,6(1h,3h,5h)-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(1-methyl-2-phenylethyl)-5,5-di-2-propenyl-
| Molecular Formula | C19H22N2O3 |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.16306 |
| Heavy Atoms | 24 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 55282-17-2 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)N2C(=O)C(C(=O)NC2=O)(CC=C)CC=C |
| InChIKey | OQJUZBZLWWZNTJ-UHFFFAOYSA-N |
Product Overview
5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid (CAS 55282-17-2), with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol. IUPAC: 1-(1-phenylpropan-2-yl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid
Property Insights of 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid
The XLogP value of 3.9 indicates that 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid. Following Lipinski's Rule of Five, 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric 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
Frequently Asked Questions
What is the CAS number of 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid?
The CAS number of 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid is 55282-17-2.
What is the molecular formula of 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid?
The molecular formula of 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid is C19H22N2O3.
What is the molecular weight of 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid?
The molecular weight of 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid is 326.16 g/mol.
Where can I buy 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid?
You can request a quote for 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Diallyl-1-(alpha-methylphenethyl)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.