TL;DR: 7-hydroxy-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one (CAS 1164470-74-9) is a chemical compound with molecular formula C22H22N2O5S and molecular weight 426.12494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-hydroxy-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one
Also Known As: 7-hydroxy-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one, 7-hydroxy-4-[[4-[(E)-styryl]sulfonylpiperazino]methyl]coumarin, 7-hydroxy-4-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]chromen-2-one, 7-hydroxy-4-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one, 7-hydroxy-4-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-2H-chromen-2-one
| Molecular Formula | C22H22N2O5S |
| Molecular Weight | 426.12494 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.12494 Da |
| Heavy Atoms | 30 |
| Complexity | 774.0 |
| SMILES | C1CN(CCN1CC2=CC(=O)OC3=C2C=CC(=C3)O)S(=O)(=O)/C=C/C4=CC=CC=C4 |
| InChIKey | DHBBYJWBUBIBNF-MDWZMJQESA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-hydroxy-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-hydroxy-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one. Following Lipinski's Rule of Five, 7-hydroxy-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-hydroxy-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one is 1164470-74-9.
The molecular formula of 7-hydroxy-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one is C22H22N2O5S.
The molecular weight of 7-hydroxy-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one is 426.12494 g/mol.
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