5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1185074-90-1) is a chemical compound with molecular formula C22H23N3O5S and molecular weight 441.13583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
Technical Specifications
| Molecular Formula | C22H23N3O5S |
| Molecular Weight | 441.13583 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.13583 Da |
| Heavy Atoms | 31 |
| Complexity | 732.0 |
| SMILES | COC1=CC=CC(=C1)N2C(=C(C(=O)NC2=S)C3C4=CC(=C(C=C4CCN3)OC)OC)O |
| InChIKey | VUMMXZDSMKNSPG-UHFFFAOYSA-N |
Chemical Property Profile of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1185074-90-1.
What is the molecular formula of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C22H23N3O5S.
What is the molecular weight of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 441.13583 g/mol.
Where can I buy 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, CoreyChem provides custom synthesis services for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.