TL;DR: (E)-3-[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]prop-2-enoic acid (CAS 1523528-01-9) 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)-3-[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]prop-2-enoic acid
Also Known As: AB00122026-01, (E)-3-[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]prop-2-enoic acid, (2E)-3-{1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enoic acid, (E)-3-(1-(2-(p-tolyloxy)ethyl)-1H-indol-3-yl)acrylic acid, 3-[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]prop-2-enoic Acid
| Molecular Formula | C20H19NO3 |
| Molecular Weight | 321.1365 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.1365 Da |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
| SMILES | CC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)/C=C/C(=O)O |
| InChIKey | HNRQHXNEKIVLTR-DHZHZOJOSA-N |
The XLogP value of 3.9 indicates that (E)-3-[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.5 Ų, (E)-3-[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]prop-2-enoic acid has 1 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)-3-[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]prop-2-enoic acid is 1523528-01-9.
The molecular formula of (E)-3-[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]prop-2-enoic acid is C20H19NO3.
The molecular weight of (E)-3-[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]prop-2-enoic acid is 321.1365 g/mol.
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