TL;DR: (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-(2-methylbenzylidene)benzofuran-3(2H)-one (CAS 1178095-39-0) is a chemical compound with molecular formula C23H26N2O3 and molecular weight 378.19434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one
Also Known As: (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-(2-methylbenzylidene)benzofuran-3(2H)-one, 7-[(4-ethylpiperazinyl)methyl]-6-hydroxy-2-[(2-methylphenyl)methylene]benzo[b] furan-3-one, (2Z)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2-(2-methylbenzylidene)-1-benzofuran-3(2H)-one, (2Z)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one, 7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2-[(2-methylphenyl)methylidene]benzofuran-3-one
| Molecular Formula | C23H26N2O3 |
| Molecular Weight | 378.19434 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.19434 Da |
| Heavy Atoms | 28 |
| Complexity | 584.0 |
| SMILES | CCN1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CC=C4C)/C3=O)O |
| InChIKey | XRHPXKKNKPEQEE-STZFKDTASA-N |
The XLogP value of 3.6 indicates that (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-(2-methylbenzylidene)benzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-(2-methylbenzylidene)benzofuran-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-(2-methylbenzylidene)benzofuran-3(2H)-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-(2-methylbenzylidene)benzofuran-3(2H)-one is 1178095-39-0.
The molecular formula of (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-(2-methylbenzylidene)benzofuran-3(2H)-one is C23H26N2O3.
The molecular weight of (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-(2-methylbenzylidene)benzofuran-3(2H)-one is 378.19434 g/mol.
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