![5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one structure](/static/products/118/1189461-04-8.png)
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
TL;DR: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one (CAS 1189461-04-8) is a chemical compound with molecular formula C22H20F3N3O4S and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
Also Known As: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one, 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydropyrimidin-4(1H)-one, 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C22H20F3N3O4S |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 3.87179 |
| Topological Polar Surface Area | 88.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.11267 |
| Heavy Atoms | 33 |
| Complexity | 1333.9271 |
Chemical Identifiers
| CAS Number | 1189461-04-8 |
|---|---|
| SMILES | COC1=C(C=C2C(NCCC2=C1)C3=C(N(C(=S)NC3=O)C4=CC=CC(=C4)C(F)(F)F)O)OC |
Product Overview
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one (CAS 1189461-04-8), with molecular formula C22H20F3N3O4S and molecular weight 479.11 g/mol. IUPAC: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one.
Chemical Property Profile of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
Property Insights of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
The XLogP value of 3.87179 indicates that 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one. Following Lipinski's Rule of Five, 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one has 3 hydrogen bond donor(s) and 6 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 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one?
The CAS number of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one is 1189461-04-8.
What is the molecular formula of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one?
The molecular formula of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one is C22H20F3N3O4S.
What is the molecular weight of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one?
The molecular weight of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one is 479.11 g/mol.
Where can I buy 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one?
You can request a quote for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.