1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone
TL;DR: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone (CAS 1282120-60-8) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone
Also Known As: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone, 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyrimidin-2-ylsulfanyl)ethanone, 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyrimidin-2-ylthio)ethanone
Technical Specifications
| Molecular Formula | C17H19N3O3S |
| Molecular Weight | 345.11472 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.11472 Da |
| Heavy Atoms | 24 |
| Complexity | 420.0 |
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC=CC=N3)OC |
| InChIKey | ZEDYJARXNXVMRI-UHFFFAOYSA-N |
Chemical Property Profile of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone
Property Insights of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone. Following Lipinski's Rule of Five, 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone?
The CAS number of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone is 1282120-60-8.
What is the molecular formula of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone?
The molecular formula of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone is C17H19N3O3S.
What is the molecular weight of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone?
The molecular weight of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone is 345.11472 g/mol.
Where can I buy 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone?
You can request a quote for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone?
Yes, CoreyChem provides custom synthesis services for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.