TL;DR: Indralin (CAS 156691-86-0) is a chemical compound with molecular formula C23H28O2S and molecular weight 368.181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(E)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]thiophene-2-carboxylic acid
Also Known As: Indralin, INDRALINE, Agn 191659, (E)-5-(2-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)propen-1-yl)-2-thiophenecarboxylic acid, 5-[(E)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]thiophene-2-carboxylic acid
| Molecular Formula | C23H28O2S |
| Molecular Weight | 368.181 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.181 Da |
| Heavy Atoms | 26 |
| Complexity | 577.0 |
| SMILES | CC1=CC2=C(C=C1/C(=C/C3=CC=C(S3)C(=O)O)/C)C(CCC2(C)C)(C)C |
| InChIKey | QPAMXNZWXFZISY-SDNWHVSQSA-N |
The XLogP value of 7.9 indicates that Indralin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Indralin. Following Lipinski's Rule of Five, Indralin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Indralin is 156691-86-0.
The molecular formula of Indralin is C23H28O2S.
The molecular weight of Indralin is 368.181 g/mol.
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