![3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde structure](/static/products/859/859658-16-5.png)
3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde
TL;DR: 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde (CAS 859658-16-5) is a chemical compound with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)oxy]-4-methoxybenzaldehyde
Also Known As: 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde, 3-[(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy]-4-methoxybenzaldehyde, 3-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)oxy]-4-methoxybenzaldehyde
| Molecular Formula | C22H20N2O6 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 3.097 |
| Topological Polar Surface Area | 88.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.13214 |
| Heavy Atoms | 30 |
| Complexity | 1184.9758 |
Chemical Identifiers
| CAS Number | 859658-16-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=O)OC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC |
Product Overview
3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde (CAS 859658-16-5), with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol. IUPAC: 3-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)oxy]-4-methoxybenzaldehyde.
Chemical Property Profile of 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde
Property Insights of 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde
The XLogP value of 3.097 indicates that 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde. Following Lipinski's Rule of Five, 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde has 0 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 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde?
The CAS number of 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde is 859658-16-5.
What is the molecular formula of 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde?
The molecular formula of 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde is C22H20N2O6.
What is the molecular weight of 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde?
The molecular weight of 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde is 408.13 g/mol.
Where can I buy 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde?
You can request a quote for 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)oxy)-4-methoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.