![(E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione structure](/static/products/902/902330-65-8.png)
(E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione
TL;DR: (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione (CAS 902330-65-8) is a chemical compound with molecular formula C23H24N6O5S and molecular weight 496.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7'-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
Also Known As: (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione, 1,3-dimethyl-7'-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]spiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione, 1,3-dimethyl-7'-{[(E)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
| Molecular Formula | C23H24N6O5S |
|---|---|
| Molecular Weight | 496.15 g/mol |
| LogP | 1.46079 |
| Topological Polar Surface Area | 131.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 496.1529 |
| Heavy Atoms | 35 |
| Complexity | 1418.851 |
Chemical Identifiers
| CAS Number | 902330-65-8 |
|---|---|
| SMILES | CN1C(=C(C(=O)NC1=S)C=NC2=CC3=C(C=C2)N4CCCC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C)O |
Product Overview
(E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione (CAS 902330-65-8), with molecular formula C23H24N6O5S and molecular weight 496.15 g/mol. IUPAC: 7'-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione
Property Insights of (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione
The XLogP value of 1.46079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione. The TPSA of 131.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione. Following Lipinski's Rule of Five, (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione has 2 hydrogen bond donor(s) and 8 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 (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione?
The CAS number of (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione is 902330-65-8.
What is the molecular formula of (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione?
The molecular formula of (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione is C23H24N6O5S.
What is the molecular weight of (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione?
The molecular weight of (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione is 496.15 g/mol.
Where can I buy (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione?
You can request a quote for (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7'-(((2-mercapto-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.