1,5,5-Triallylbarbituric acid
TL;DR: 1,5,5-Triallylbarbituric acid (CAS 66843-15-0) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Also Known As: 1,5,5-Triallylbarbituric acid, N,5,5-Triallylbarbituric acid, BARBITURIC ACID, 1,5,5-TRIALLYL-, 4-24-00-02035 (Beilstein Handbook Reference), 1,5,5-Triallyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 66843-15-0 |
|---|---|
| SMILES | C=CCC1(C(=O)NC(=O)N(C1=O)CC=C)CC=C |
| InChIKey | DHSLSLIRVCUYNP-UHFFFAOYSA-N |
Product Overview
1,5,5-Triallylbarbituric acid (CAS 66843-15-0), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: 1,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,5,5-Triallylbarbituric acid
Property Insights of 1,5,5-Triallylbarbituric acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5,5-Triallylbarbituric acid. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5,5-Triallylbarbituric acid. Following Lipinski's Rule of Five, 1,5,5-Triallylbarbituric 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 1,5,5-Triallylbarbituric acid?
The CAS number of 1,5,5-Triallylbarbituric acid is 66843-15-0.
What is the molecular formula of 1,5,5-Triallylbarbituric acid?
The molecular formula of 1,5,5-Triallylbarbituric acid is C13H16N2O3.
What is the molecular weight of 1,5,5-Triallylbarbituric acid?
The molecular weight of 1,5,5-Triallylbarbituric acid is 248.12 g/mol.
Where can I buy 1,5,5-Triallylbarbituric acid?
You can request a quote for 1,5,5-Triallylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5,5-Triallylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1,5,5-Triallylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.