![(Z)-8-(((1-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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/892/892611-67-5.png)
(Z)-8-(((1-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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 892611-67-5) is a chemical compound with molecular formula C25H27N7O5S and molecular weight 537.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-ethyl-8'-[(6-hydroxy-4-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl)methylideneamino]spiro[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-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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)-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}-1-(prop-2-en-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, 8'-[(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-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
| Molecular Formula | C25H27N7O5S |
|---|---|
| Molecular Weight | 537.18 g/mol |
| LogP | 0.96709 |
| Topological Polar Surface Area | 152.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 537.17944 |
| Heavy Atoms | 38 |
| Complexity | 1490.3953 |
Chemical Identifiers
| CAS Number | 892611-67-5 |
|---|---|
| SMILES | CCN1CCN2C(C1)C3(CC4=C2C=CC(=C4)N=CC5=C(N(C(=S)NC5=O)CC=C)O)C(=O)NC(=O)NC3=O |
Product Overview
(Z)-8-(((1-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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 892611-67-5), with molecular formula C25H27N7O5S and molecular weight 537.18 g/mol. IUPAC: 3'-ethyl-8'-[(6-hydroxy-4-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl)methylideneamino]spiro[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-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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 0.96709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-8-(((1-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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 152.13 Ų indicates high polarity, suggesting (Z)-8-(((1-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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 892611-67-5.
What is the molecular formula of (Z)-8-(((1-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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 C25H27N7O5S.
What is the molecular weight of (Z)-8-(((1-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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 537.18 g/mol.
Where can I buy (Z)-8-(((1-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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-allyl-2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-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.