4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate
TL;DR: 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate (CAS 1042-93-9) is a chemical compound with molecular formula C16H24N2O5 and molecular weight 324.16852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] acetate
Also Known As: [4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] acetate|5-24-09-00133 (Beilstein Handbook Reference)|5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid acetate (ester)|1-cyclohexyl-5-ethyl-3-phenyl-pyrimidine-2,4,6-trione|5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid acetate|BARBITURIC ACID, 5-BUTYL-1-(4-HYDROXYCYCLOHEXYL)-, ACETATE (ester)|4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate|4-(5-BUTYL-2,4,6-TRIOXO-1,3-DIAZINAN-1-YL)CYCLOHEXYL ACETATE|BRN 0765586
Technical Specifications
| Molecular Formula | C16H24N2O5 |
| Molecular Weight | 324.16852 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.16852 Da |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
| SMILES | CCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C |
| InChIKey | BPUYNCJCQVSSST-UHFFFAOYSA-N |
Chemical Property Profile of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate
Property Insights of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate. Following Lipinski's Rule of Five, 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate?
The CAS number of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate is 1042-93-9.
What is the molecular formula of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate?
The molecular formula of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate is C16H24N2O5.
What is the molecular weight of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate?
The molecular weight of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate is 324.16852 g/mol.
Where can I buy 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate?
You can request a quote for 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate?
Yes, CoreyChem provides custom synthesis services for 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.