1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid
TL;DR: 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid (CAS 94022-58-9) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
Also Known As: 1- -5-ethylbarbituricacid, EINECS 301-555-4, 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid, 1-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione, 1-(1-Cyclohexen-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 1.5489 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 400.55493 |
Chemical Identifiers
| CAS Number | 94022-58-9 |
|---|---|
| SMILES | CCC1C(=O)NC(=O)N(C1=O)C2=CCCCC2 |
Product Overview
1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid (CAS 94022-58-9), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 1-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid
Property Insights of 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid
The XLogP value of 1.5489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid. Following Lipinski's Rule of Five, 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric 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-ethylbarbituric acid?
The CAS number of 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid is 94022-58-9.
What is the molecular formula of 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid?
The molecular formula of 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid is C12H16N2O3.
What is the molecular weight of 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid?
The molecular weight of 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid is 236.12 g/mol.
Where can I buy 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid?
You can request a quote for 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric 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-ethylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.