![5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/859/859112-59-7.png)
5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 859112-59-7) is a chemical compound with molecular formula C21H20N4O7 and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(9,10-dimethoxy-2,4-dioxo-6,7-dihydropyrimido[6,1-a]isoquinolin-1-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(9,10-dimethoxy-2,4-dioxo-6,7-dihydropyrimido[6,1-a]isoquinolin-1-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H20N4O7 |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 0.2107 |
| Topological Polar Surface Area | 131.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.1332 |
| Heavy Atoms | 32 |
| Complexity | 1308.8792 |
Chemical Identifiers
| CAS Number | 859112-59-7 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=C3C4=CC(=C(C=C4CCN3C(=O)NC2=O)OC)OC)C(=O)N(C1=O)C |
Product Overview
5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 859112-59-7), with molecular formula C21H20N4O7 and molecular weight 440.13 g/mol. IUPAC: 5-[(9,10-dimethoxy-2,4-dioxo-6,7-dihydropyrimido[6,1-a]isoquinolin-1-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 0.2107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 131.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-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 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 859112-59-7.
What is the molecular formula of 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C21H20N4O7.
What is the molecular weight of 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 440.13 g/mol.
Where can I buy 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-((2-hydroxy-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-1-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.