TL;DR: 3-[4(1,2-Diphenyl-but-1-enyl)-phenyl]-acrylic acid (CAS 155701-61-4) is a chemical compound with molecular formula C25H22O2 and molecular weight 354.162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(1,2-diphenylbut-1-enyl)phenyl]prop-2-enoic acid
Also Known As: Etacstil, GW 5638, 3-[4(1,2-diphenyl-but-1-enyl)-phenyl]-acrylic acid, 3-(4-(1,2-Diphenylbut-1-enyl)phenyl)acrylic acid, 3-[4-(1,2-diphenylbut-1-enyl)phenyl]prop-2-enoic acid
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C25H22O2 |
| Molecular Weight | 354.162 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.162 Da |
| Heavy Atoms | 27 |
| Complexity | 525.0 |
| SMILES | CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)C=CC(=O)O)C3=CC=CC=C3 |
| InChIKey | HJQQVNIORAQATK-UHFFFAOYSA-N |
The XLogP value of 7.1 indicates that 3-[4(1,2-Diphenyl-but-1-enyl)-phenyl]-acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-[4(1,2-Diphenyl-but-1-enyl)-phenyl]-acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4(1,2-Diphenyl-but-1-enyl)-phenyl]-acrylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-[4(1,2-Diphenyl-but-1-enyl)-phenyl]-acrylic acid is 155701-61-4.
The molecular formula of 3-[4(1,2-Diphenyl-but-1-enyl)-phenyl]-acrylic acid is C25H22O2.
The molecular weight of 3-[4(1,2-Diphenyl-but-1-enyl)-phenyl]-acrylic acid is 354.162 g/mol.
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