TL;DR: 4-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-4-yl)quinoline (CAS 1164454-55-0) is a chemical compound with molecular formula C27H24N4O3S and molecular weight 484.15692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
Also Known As: [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone|4-[4-(2-phenylethenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-4-yl)quinoline|SMR000153828|MLS000567053|MLS002635386|CHEMBL1546273|EN300-26611828|Z29528766
| Molecular Formula | C27H24N4O3S |
| Molecular Weight | 484.15692 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.15692 Da |
| Heavy Atoms | 35 |
| Complexity | 837.0 |
| SMILES | C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)S(=O)(=O)/C=C/C5=CC=CC=C5 |
| InChIKey | RIDZRZGVVQZGPD-XDHOZWIPSA-N |
The XLogP value of 3.3 indicates that 4-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-4-yl)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-4-yl)quinoline. Following Lipinski's Rule of Five, 4-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-4-yl)quinoline 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 4-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-4-yl)quinoline is 1164454-55-0.
The molecular formula of 4-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-4-yl)quinoline is C27H24N4O3S.
The molecular weight of 4-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-2-(pyridin-4-yl)quinoline is 484.15692 g/mol.
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