TL;DR: 7-methoxy-6-methyl-2-((4-methylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline-5,8-dione (CAS 113361-38-9) is a chemical compound with molecular formula C18H19NO5S and molecular weight 361.0984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methoxy-6-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-5,8-dione
Also Known As: 7-methoxy-6-methyl-2-((4-methylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline-5,8-dione, 5,8-Isoquinolinedione,1,2,3,4-tetrahydro-7-methoxy-6-methyl-2-[(4-methylphenyl)sulfonyl]-, 7-Methoxy-6-methyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline-5,8-dione, 7-methoxy-6-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-5,8-dione, 7-methoxy-6-methyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-5,8-dione
| Molecular Formula | C18H19NO5S |
| Molecular Weight | 361.0984 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.0984 Da |
| Heavy Atoms | 25 |
| Complexity | 764.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C(=O)C(=C(C3=O)C)OC |
| InChIKey | RGLXGQWRQRWRLI-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methoxy-6-methyl-2-((4-methylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline-5,8-dione. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methoxy-6-methyl-2-((4-methylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline-5,8-dione. Following Lipinski's Rule of Five, 7-methoxy-6-methyl-2-((4-methylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline-5,8-dione has 0 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 7-methoxy-6-methyl-2-((4-methylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline-5,8-dione is 113361-38-9.
The molecular formula of 7-methoxy-6-methyl-2-((4-methylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline-5,8-dione is C18H19NO5S.
The molecular weight of 7-methoxy-6-methyl-2-((4-methylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline-5,8-dione is 361.0984 g/mol.
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