5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid
TL;DR: 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid (CAS 67197-16-4) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-oxocyclohex-2-en-1-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: Cid 6455433, 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(4-oxo-2-cyclohexen-1-yl)-5-(2-propenyl)-, 5-(4-oxocyclohex-2-en-1-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, 4,6-Dihydroxy-5-(4-oxocyclohex-2-en-1-yl)-5-(prop-2-en-1-yl)pyrimidin-2(5H)-one
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 0.4502 |
| Topological Polar Surface Area | 92.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 486.7726 |
Chemical Identifiers
| CAS Number | 67197-16-4 |
|---|---|
| SMILES | C=CCC1(C(=O)NC(=O)NC1=O)C2CCC(=O)C=C2 |
Product Overview
5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid (CAS 67197-16-4), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: 5-(4-oxocyclohex-2-en-1-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid
Property Insights of 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid
The XLogP value of 0.4502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid. The TPSA of 92.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid. Following Lipinski's Rule of Five, 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid has 2 hydrogen bond donor(s) and 4 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-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid?
The CAS number of 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid is 67197-16-4.
What is the molecular formula of 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid?
The molecular formula of 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid is C13H14N2O4.
What is the molecular weight of 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid?
The molecular weight of 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid is 262.10 g/mol.
Where can I buy 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid?
You can request a quote for 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Oxo-delta(2)-cyclohexenyl)5-allylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.