![(Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione structure](/static/products/892/892611-98-2.png)
(Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
TL;DR: (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 892611-98-2) is a chemical compound with molecular formula C26H31N7O6 and molecular weight 537.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8'-[(1-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, (5Z)-3-butyl-5-{[(3-ethyl-2',6'-dihydroxy-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione, 8'-[(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 8'-[[(Z)-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
| Molecular Formula | C26H31N7O6 |
|---|---|
| Molecular Weight | 537.23 g/mol |
| LogP | 0.2119 |
| Topological Polar Surface Area | 169.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 537.2336 |
| Heavy Atoms | 39 |
| Complexity | 1472.5895 |
Chemical Identifiers
| CAS Number | 892611-98-2 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C=NC2=CC3=C(C=C2)N4CCN(CC4C5(C3)C(=O)NC(=O)NC5=O)CC)O |
Product Overview
(Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 892611-98-2), with molecular formula C26H31N7O6 and molecular weight 537.23 g/mol. IUPAC: 8'-[(1-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-ethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
Property Insights of (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
The XLogP value of 0.2119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione. The TPSA of 169.2 Ų indicates high polarity, suggesting (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
The CAS number of (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is 892611-98-2.
What is the molecular formula of (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
The molecular formula of (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is C26H31N7O6.
What is the molecular weight of (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
The molecular weight of (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is 537.23 g/mol.
Where can I buy (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
You can request a quote for (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-8-(((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-ethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.