1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid
TL;DR: 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid (CAS 94022-59-0) is a chemical compound with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(cyclohexen-1-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
Also Known As: EINECS 301-557-5, 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid, 1-(1-CYCLOHEXEN-1-YL)-5,5-DIETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 1-(CYCLOHEX-1-EN-1-YL)-5,5-DIETHYL-1,3-DIAZINANE-2,4,6-TRIONE, 1-(cyclohexen-1-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C14H20N2O3 |
|---|---|
| Molecular Weight | 264.15 g/mol |
| LogP | 2.3291 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.1474 |
| Heavy Atoms | 19 |
| Complexity | 449.60742 |
Chemical Identifiers
| CAS Number | 94022-59-0 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)C2=CCCCC2)CC |
Product Overview
1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid (CAS 94022-59-0), with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol. IUPAC: 1-(cyclohexen-1-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid
Property Insights of 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid
The XLogP value of 2.3291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid. Following Lipinski's Rule of Five, 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric 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-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid?
The CAS number of 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid is 94022-59-0.
What is the molecular formula of 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid?
The molecular formula of 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid is C14H20N2O3.
What is the molecular weight of 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid?
The molecular weight of 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid is 264.15 g/mol.
Where can I buy 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid?
You can request a quote for 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.