TL;DR: 6-hydroxy-1-(4-isopropylphenyl)-5-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1190241-74-7) is a chemical compound with molecular formula C24H25N3O4S and molecular weight 451.1566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-5-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-propan-2-ylphenyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 6-hydroxy-1-(4-isopropylphenyl)-5-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-hydroxy-5-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-propan-2-ylphenyl)-2-sulfanylidenepyrimidin-4-one
| Molecular Formula | C24H25N3O4S |
| Molecular Weight | 451.1566 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.1566 Da |
| Heavy Atoms | 32 |
| Complexity | 794.0 |
| SMILES | CC(C)C1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C3C4=CC5=C(C=C4CCN3C)OCO5)O |
| InChIKey | YFLDXUVFBYNOCL-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 6-hydroxy-1-(4-isopropylphenyl)-5-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-1-(4-isopropylphenyl)-5-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-hydroxy-1-(4-isopropylphenyl)-5-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-hydroxy-1-(4-isopropylphenyl)-5-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1190241-74-7.
The molecular formula of 6-hydroxy-1-(4-isopropylphenyl)-5-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C24H25N3O4S.
The molecular weight of 6-hydroxy-1-(4-isopropylphenyl)-5-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 451.1566 g/mol.
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