TL;DR: 2-[[4-(Dimethylamino)phenyl]methylene]-6-hydroxy-benzofuran-3-one (CAS 1613190-07-0) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-(dimethylamino)phenyl]methylidene]-6-hydroxy-1-benzofuran-3-one
Also Known As: NCI60_019752, 2-[(4-dimethylaminophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one, 2-[[4-(dimethylamino)phenyl]methylene]-6-hydroxy-benzofuran-3-one, 2-[4-(dimethylamino)benzylidene]-6-hydroxy-1-benzofuran-3(2h)-one, (2Z)-2-[[4-(Dimethylamino)phenyl]methylene]-6-hydroxy-3(2H)-benzofuranone
| Molecular Formula | C17H15NO3 |
| Molecular Weight | 281.1052 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.1052 Da |
| Heavy Atoms | 21 |
| Complexity | 424.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)O |
| InChIKey | XWVDODMZYGXNEU-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 2-[[4-(Dimethylamino)phenyl]methylene]-6-hydroxy-benzofuran-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 2-[[4-(Dimethylamino)phenyl]methylene]-6-hydroxy-benzofuran-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-(Dimethylamino)phenyl]methylene]-6-hydroxy-benzofuran-3-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[[4-(Dimethylamino)phenyl]methylene]-6-hydroxy-benzofuran-3-one is 1613190-07-0.
The molecular formula of 2-[[4-(Dimethylamino)phenyl]methylene]-6-hydroxy-benzofuran-3-one is C17H15NO3.
The molecular weight of 2-[[4-(Dimethylamino)phenyl]methylene]-6-hydroxy-benzofuran-3-one is 281.1052 g/mol.
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