5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1189919-44-5) is a chemical compound with molecular formula C21H18ClN3O3S and molecular weight 427.07574 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(2-chlorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-sulfanylpyrimidin-4(3H)-one, 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(2-chlorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Technical Specifications
| Molecular Formula | C21H18ClN3O3S |
| Molecular Weight | 427.07574 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 427.07574 Da |
| Heavy Atoms | 29 |
| Complexity | 743.0 |
| SMILES | CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=S)NC3=O)C4=CC=CC=C4Cl)O |
| InChIKey | ZYIMUGGEAVEAAV-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 4 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-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1189919-44-5.
What is the molecular formula of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C21H18ClN3O3S.
What is the molecular weight of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 427.07574 g/mol.
Where can I buy 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-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-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, CoreyChem provides custom synthesis services for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-chlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.