TL;DR: 8-(3,4-dimethylbenzenesulfonyl)-7-(4-methylbenzoyl)-2H-[1,3]dioxolo[4,5-g]quinoline (CAS 866895-66-1) is a chemical compound with molecular formula C26H21NO5S and molecular weight 459.11404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-(3,4-dimethylphenyl)sulfonyl-[1,3]dioxolo[4,5-g]quinolin-7-yl]-(4-methylphenyl)methanone
Also Known As: 8-(3,4-dimethylbenzenesulfonyl)-7-(4-methylbenzoyl)-2H-[1,3]dioxolo[4,5-g]quinoline, F1607-0573, (8-((3,4-dimethylphenyl)sulfonyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl)(p-tolyl)methanone, [8-(3,4-dimethylphenyl)sulfonyl-[1,3]dioxolo[4,5-g]quinolin-7-yl]-(4-methylphenyl)methanone
| Molecular Formula | C26H21NO5S |
| Molecular Weight | 459.11404 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.11404 Da |
| Heavy Atoms | 33 |
| Complexity | 817.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2=C(C3=CC4=C(C=C3N=C2)OCO4)S(=O)(=O)C5=CC(=C(C=C5)C)C |
| InChIKey | MVSLMZUMVJCVTI-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 8-(3,4-dimethylbenzenesulfonyl)-7-(4-methylbenzoyl)-2H-[1,3]dioxolo[4,5-g]quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,4-dimethylbenzenesulfonyl)-7-(4-methylbenzoyl)-2H-[1,3]dioxolo[4,5-g]quinoline. Following Lipinski's Rule of Five, 8-(3,4-dimethylbenzenesulfonyl)-7-(4-methylbenzoyl)-2H-[1,3]dioxolo[4,5-g]quinoline has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-(3,4-dimethylbenzenesulfonyl)-7-(4-methylbenzoyl)-2H-[1,3]dioxolo[4,5-g]quinoline is 866895-66-1.
The molecular formula of 8-(3,4-dimethylbenzenesulfonyl)-7-(4-methylbenzoyl)-2H-[1,3]dioxolo[4,5-g]quinoline is C26H21NO5S.
The molecular weight of 8-(3,4-dimethylbenzenesulfonyl)-7-(4-methylbenzoyl)-2H-[1,3]dioxolo[4,5-g]quinoline is 459.11404 g/mol.
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