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 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C20H16F3N3O2S |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 3.85459 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.09152 |
| Heavy Atoms | 29 |
| Complexity | 1200.5514 |
Chemical Identifiers
| CAS Number | 1189469-22-4 |
|---|---|
| SMILES | C1CNC(C2=CC=CC=C21)C3=C(N(C(=S)NC3=O)C4=CC=CC(=C4)C(F)(F)F)O |
Product Overview
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), with molecular formula C20H16F3N3O2S and molecular weight 419.09 g/mol. IUPAC: 6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one.
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 3.85459 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 70.05 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 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 419.09 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO 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, KEHONG BIO 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.