TL;DR: (E)-3-(4-Hydroxyphenyl)acrylic acid docosylester (CAS 101959-29-9) is a chemical compound with molecular formula C31H52O3 and molecular weight 472.39163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
docosyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: Not Available, docosyl (e)-p-coumarate, docosyl 3-(4-hydroxyphenyl)prop-2-enoate, 4-Hydroxy-trans-cinnamic acid docosyl ester, (E)-3-(4-Hydroxyphenyl)acrylic acid docosylester
| Molecular Formula | C31H52O3 |
| Molecular Weight | 472.39163 g/mol |
| XLogP | 12.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 24 |
| Exact Mass | 472.39163 Da |
| Heavy Atoms | 34 |
| Complexity | 465.0 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC=C(C=C1)O |
| InChIKey | PHDAMXFKBIUHBU-SOYKGTTHSA-N |
The XLogP value of 12.8 indicates that (E)-3-(4-Hydroxyphenyl)acrylic acid docosylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, (E)-3-(4-Hydroxyphenyl)acrylic acid docosylester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-Hydroxyphenyl)acrylic acid docosylester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-3-(4-Hydroxyphenyl)acrylic acid docosylester is 101959-29-9.
The molecular formula of (E)-3-(4-Hydroxyphenyl)acrylic acid docosylester is C31H52O3.
The molecular weight of (E)-3-(4-Hydroxyphenyl)acrylic acid docosylester is 472.39163 g/mol.
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