![(5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione structure](/static/products/892/892633-97-5.png)
(5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
TL;DR: (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione (CAS 892633-97-5) is a chemical compound with molecular formula C27H25N7O6 and molecular weight 543.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione, (E)-8-(((1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, 8'-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]-3'-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 8'-[[(Z)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]-3'-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
| Molecular Formula | C27H25N7O6 |
|---|---|
| Molecular Weight | 543.19 g/mol |
| LogP | 0.1335 |
| Topological Polar Surface Area | 169.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 543.18665 |
| Heavy Atoms | 40 |
| Complexity | 1690.4349 |
Chemical Identifiers
| CAS Number | 892633-97-5 |
|---|---|
| SMILES | CN1C(=C(C(=O)NC1=O)C=NC2=CC3=C(C=C2)N4CCN(CC4C5(C3)C(=O)NC(=O)NC5=O)C6=CC=CC=C6)O |
Product Overview
(5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione (CAS 892633-97-5), with molecular formula C27H25N7O6 and molecular weight 543.19 g/mol. IUPAC: 8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
Property Insights of (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
The XLogP value of 0.1335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione. The TPSA of 169.2 Ų indicates high polarity, suggesting (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione 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 (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione?
The CAS number of (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione is 892633-97-5.
What is the molecular formula of (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione?
The molecular formula of (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione is C27H25N7O6.
What is the molecular weight of (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione?
The molecular weight of (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione is 543.19 g/mol.
Where can I buy (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione?
You can request a quote for (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.