1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
TL;DR: 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one (CAS 1190258-94-6) is a chemical compound with molecular formula C21H21N3O2S and molecular weight 379.13544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
Also Known As: 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one, 3-(4-ethylphenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Technical Specifications
| Molecular Formula | C21H21N3O2S |
| Molecular Weight | 379.13544 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 96.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.13544 Da |
| Heavy Atoms | 27 |
| Complexity | 627.0 |
| SMILES | CCC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CCN3)O |
| InChIKey | IJBNNIVMDKTLOZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
Property Insights of 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
The XLogP value of 3.1 indicates that 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-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 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one. Following Lipinski's Rule of Five, 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-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
What is the CAS number of 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
The CAS number of 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one is 1190258-94-6.
What is the molecular formula of 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
The molecular formula of 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one is C21H21N3O2S.
What is the molecular weight of 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
The molecular weight of 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one is 379.13544 g/mol.
Where can I buy 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
You can request a quote for 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
Yes, CoreyChem provides custom synthesis services for 1-(4-ethylphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.