TL;DR: {2-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl}(phenyl)methanone (CAS 132600-29-4) is a chemical compound with molecular formula C20H19NO3 and molecular weight 321.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl]-phenylmethanone
Also Known As: BIM-0037072.P001, (E)-(2-(2-(dimethylamino)vinyl)-5-methoxybenzofuran-3-yl)(phenyl)methanone, [2-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl]-phenylmethanone, {2-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl}(phenyl)methanone
| Molecular Formula | C20H19NO3 |
| Molecular Weight | 321.1365 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.1365 Da |
| Heavy Atoms | 24 |
| Complexity | 456.0 |
| SMILES | CN(C)/C=C/C1=C(C2=C(O1)C=CC(=C2)OC)C(=O)C3=CC=CC=C3 |
| InChIKey | BVACXZYLXCMRAA-VAWYXSNFSA-N |
The XLogP value of 4.2 indicates that {2-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl}(phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, {2-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl}(phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {2-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl}(phenyl)methanone has 0 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-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl}(phenyl)methanone is 132600-29-4.
The molecular formula of {2-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl}(phenyl)methanone is C20H19NO3.
The molecular weight of {2-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl}(phenyl)methanone is 321.1365 g/mol.
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