5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1185048-22-9) is a chemical compound with molecular formula C21H27N3O5S and molecular weight 433.16714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-1-butyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-sulfanylpyrimidin-4(3H)-one, 5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-1-butyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Technical Specifications
| Molecular Formula | C21H27N3O5S |
| Molecular Weight | 433.16714 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.16714 Da |
| Heavy Atoms | 30 |
| Complexity | 727.0 |
| SMILES | CCCCN1C(=C(C(=O)NC1=S)C2C3=CC(=C(C=C3CCN2C(=O)C)OC)OC)O |
| InChIKey | BTYIUFXXQWLPFC-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 2 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 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1185048-22-9.
What is the molecular formula of 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C21H27N3O5S.
What is the molecular weight of 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 433.16714 g/mol.
Where can I buy 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-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-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, CoreyChem provides custom synthesis services for 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.