![(E)-7'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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/892/892620-41-6.png)
(E)-7'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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 892620-41-6) is a chemical compound with molecular formula C25H25N5O6 and molecular weight 491.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7'-[(E)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]spiro[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'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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'-[(E)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]spiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione, 7'-{(E)-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trion
| Molecular Formula | C25H25N5O6 |
|---|---|
| Molecular Weight | 491.18 g/mol |
| LogP | 0.8961 |
| Topological Polar Surface Area | 127.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 491.18048 |
| Heavy Atoms | 36 |
| Complexity | 1275.6041 |
Chemical Identifiers
| CAS Number | 892620-41-6 |
|---|---|
| SMILES | CN1C(=O)C2(CC3=C(C=CC(=C3)/C=C/4\C(=O)NC(=O)N(C4=O)CC=C)N5C2CCC5)C(=O)N(C1=O)C |
Product Overview
(E)-7'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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 892620-41-6), with molecular formula C25H25N5O6 and molecular weight 491.18 g/mol. IUPAC: 1,3-dimethyl-7'-[(E)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]spiro[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'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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 0.8961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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 127.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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 1 hydrogen bond donor(s) and 7 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'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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 892620-41-6.
What is the molecular formula of (E)-7'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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 C25H25N5O6.
What is the molecular weight of (E)-7'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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 491.18 g/mol.
Where can I buy (E)-7'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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'-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-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.