6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 1189469-22-4) is a chemical compound with molecular formula C20H16F3N3O2S and molecular weight 419.09152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
Also Known As: 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one, 6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one, 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrimidin-4(1H)-one
Technical Specifications
| Molecular Formula | C20H16F3N3O2S |
| Molecular Weight | 419.09152 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 96.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.09152 Da |
| Heavy Atoms | 29 |
| Complexity | 712.0 |
| SMILES | C1CNC(C2=CC=CC=C21)C3=C(N(C(=S)NC3=O)C4=CC=CC(=C4)C(F)(F)F)O |
| InChIKey | ZZFGIADGYPIKPS-UHFFFAOYSA-N |
Chemical Property Profile of 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 3.2 indicates that 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-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 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one is 1189469-22-4.
What is the molecular formula of 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one is C20H16F3N3O2S.
What is the molecular weight of 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one is 419.09152 g/mol.
Where can I buy 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-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-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one?
Yes, CoreyChem provides custom synthesis services for 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.