TL;DR: (E)-1-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)prop-2-en-1-one (CAS 1237055-54-7) 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.
(E)-1-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
Also Known As: (2E)-1-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)prop-2-en-1-one, (E)-1-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)prop-2-en-1-one, (E)-1-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
| Molecular Formula | C20H19NO3 |
| Molecular Weight | 321.1365 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.1365 Da |
| Heavy Atoms | 24 |
| Complexity | 464.0 |
| SMILES | CN1C=C(C2=CC=CC=C21)/C=C/C(=O)C3=CC(=C(C=C3)OC)OC |
| InChIKey | LULYOGXTDKRPBQ-CSKARUKUSA-N |
The XLogP value of 3.7 indicates that (E)-1-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, (E)-1-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-1-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)prop-2-en-1-one is 1237055-54-7.
The molecular formula of (E)-1-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)prop-2-en-1-one is C20H19NO3.
The molecular weight of (E)-1-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)prop-2-en-1-one is 321.1365 g/mol.
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