TL;DR: (E)-1-[1-ethyl-4-[(E)-2-(4-ethylphenyl)vinyl]-4-hydroxy-3-piperidyl]-3-(4-ethylphenyl)prop-2-en-1-one (CAS 1011558-29-4) is a chemical compound with molecular formula C28H35NO2 and molecular weight 417.26678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-[1-ethyl-4-[(E)-2-(4-ethylphenyl)ethenyl]-4-hydroxypiperidin-3-yl]-3-(4-ethylphenyl)prop-2-en-1-one
Also Known As: (E)-1-[1-ethyl-4-[(E)-2-(4-ethylphenyl)vinyl]-4-hydroxy-3-piperidyl]-3-(4-ethylphenyl)prop-2-en-1-one, (2E)-1-[1-Ethyl-4-[(1E)-2-(4-ethylphenyl)ethenyl]-4-hydroxy-3-piperidinyl]-3-(4-ethylphenyl)-2-propen-1-one, (E)-1-[1-ethyl-4-[(E)-2-(4-ethylphenyl)ethenyl]-4-hydroxypiperidin-3-yl]-3-(4-ethylphenyl)prop-2-en-1-one, 2-Propen-1-one, 1-[1-ethyl-4-[(E)-2-(4-ethylphenyl)ethenyl]-4-hydroxy-3-piperidinyl]-3-(4-ethylphenyl)-, (2E)-
| Molecular Formula | C28H35NO2 |
| Molecular Weight | 417.26678 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.26678 Da |
| Heavy Atoms | 31 |
| Complexity | 611.0 |
| SMILES | CCC1=CC=C(C=C1)/C=C/C(=O)C2CN(CCC2(/C=C/C3=CC=C(C=C3)CC)O)CC |
| InChIKey | ANTRIORPDGPDGN-GKIXDJALSA-N |
The XLogP value of 6.0 indicates that (E)-1-[1-ethyl-4-[(E)-2-(4-ethylphenyl)vinyl]-4-hydroxy-3-piperidyl]-3-(4-ethylphenyl)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-[1-ethyl-4-[(E)-2-(4-ethylphenyl)vinyl]-4-hydroxy-3-piperidyl]-3-(4-ethylphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-[1-ethyl-4-[(E)-2-(4-ethylphenyl)vinyl]-4-hydroxy-3-piperidyl]-3-(4-ethylphenyl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-1-[1-ethyl-4-[(E)-2-(4-ethylphenyl)vinyl]-4-hydroxy-3-piperidyl]-3-(4-ethylphenyl)prop-2-en-1-one is 1011558-29-4.
The molecular formula of (E)-1-[1-ethyl-4-[(E)-2-(4-ethylphenyl)vinyl]-4-hydroxy-3-piperidyl]-3-(4-ethylphenyl)prop-2-en-1-one is C28H35NO2.
The molecular weight of (E)-1-[1-ethyl-4-[(E)-2-(4-ethylphenyl)vinyl]-4-hydroxy-3-piperidyl]-3-(4-ethylphenyl)prop-2-en-1-one is 417.26678 g/mol.
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