6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1189648-22-3) is a chemical compound with molecular formula C15H17N3O2S and molecular weight 303.10416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-1,3-dimethyl-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
Also Known As: 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-hydroxy-1,3-dimethyl-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
Technical Specifications
| Molecular Formula | C15H17N3O2S |
| Molecular Weight | 303.10416 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 87.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.10416 Da |
| Heavy Atoms | 21 |
| Complexity | 505.0 |
| SMILES | CN1C(=C(C(=O)N(C1=S)C)C2C3=CC=CC=C3CCN2)O |
| InChIKey | SSYLBQSLKFFPHT-UHFFFAOYSA-N |
Chemical Property Profile of 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-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 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1189648-22-3.
What is the molecular formula of 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C15H17N3O2S.
What is the molecular weight of 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 303.10416 g/mol.
Where can I buy 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-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 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, CoreyChem provides custom synthesis services for 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.