4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate
TL;DR: 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate (CAS 21330-98-3) is a chemical compound with molecular formula C21H26N2O5 and molecular weight 386.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] benzoate
Also Known As: 1- -5-butylbarbituricacid, 1-(4-Benzoyloxycyclohexyl)-5-butylbarbituric acid, 5-24-09-00133 (Beilstein Handbook Reference), 5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid benzoate (ester), [4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] benzoate
| Molecular Formula | C21H26N2O5 |
|---|---|
| Molecular Weight | 386.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.18417 |
| Heavy Atoms | 28 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 21330-98-3 |
|---|---|
| SMILES | CCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C3=CC=CC=C3 |
| InChIKey | BOCFDPNAAMHRMT-UHFFFAOYSA-N |
Product Overview
4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate (CAS 21330-98-3), with molecular formula C21H26N2O5 and molecular weight 386.18 g/mol. IUPAC: [4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] benzoate.
Chemical Property Profile of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate
Property Insights of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate
The XLogP value of 3.9 indicates that 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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 benzoate. Following Lipinski's Rule of Five, 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate 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
Frequently Asked Questions
What is the CAS number of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate?
The CAS number of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate is 21330-98-3.
What is the molecular formula of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate?
The molecular formula of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate is C21H26N2O5.
What is the molecular weight of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate?
The molecular weight of 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate is 386.18 g/mol.
Where can I buy 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate?
You can request a quote for 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.