3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1185090-31-6) is a chemical compound with molecular formula C19H16FN3O2S and molecular weight 369.09473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
Also Known As: 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 1-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
Technical Specifications
| Molecular Formula | C19H16FN3O2S |
| Molecular Weight | 369.09473 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 96.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.09473 Da |
| Heavy Atoms | 26 |
| Complexity | 618.0 |
| SMILES | C1CNC(C2=CC=CC=C21)C3=C(N(C(=S)NC3=O)C4=CC=C(C=C4)F)O |
| InChIKey | JHLUMSIIKCPQGU-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1185090-31-6.
What is the molecular formula of 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C19H16FN3O2S.
What is the molecular weight of 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 369.09473 g/mol.
Where can I buy 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 3-(4-fluorophenyl)-6-hydroxy-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 3-(4-fluorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, CoreyChem provides custom synthesis services for 3-(4-fluorophenyl)-6-hydroxy-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.