TL;DR: (E)-(2-(2-(dimethylamino)vinyl)-5-methoxybenzofuran-3-yl)(p-tolyl)methanone (CAS 153903-32-3) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15213 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]-(4-methylphenyl)methanone
Also Known As: (E)-(2-(2-(dimethylamino)vinyl)-5-methoxybenzofuran-3-yl)(p-tolyl)methanone, [2-(2-dimethylaminoethenyl)-5-methoxy-benzofuran-3-yl]-(4-methylphenyl)methanone, [2-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl]-(4-methylphenyl)methanone, {2-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl}(4-methylphenyl)methanone
| Molecular Formula | C21H21NO3 |
| Molecular Weight | 335.15213 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.15213 Da |
| Heavy Atoms | 25 |
| Complexity | 482.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C=C3)OC)/C=C/N(C)C |
| InChIKey | CRDBPMQHWGVLIV-VAWYXSNFSA-N |
The XLogP value of 4.6 indicates that (E)-(2-(2-(dimethylamino)vinyl)-5-methoxybenzofuran-3-yl)(p-tolyl)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, (E)-(2-(2-(dimethylamino)vinyl)-5-methoxybenzofuran-3-yl)(p-tolyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-(2-(2-(dimethylamino)vinyl)-5-methoxybenzofuran-3-yl)(p-tolyl)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 (E)-(2-(2-(dimethylamino)vinyl)-5-methoxybenzofuran-3-yl)(p-tolyl)methanone is 153903-32-3.
The molecular formula of (E)-(2-(2-(dimethylamino)vinyl)-5-methoxybenzofuran-3-yl)(p-tolyl)methanone is C21H21NO3.
The molecular weight of (E)-(2-(2-(dimethylamino)vinyl)-5-methoxybenzofuran-3-yl)(p-tolyl)methanone is 335.15213 g/mol.
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