TL;DR: (E)-8-(3-(5-fluoro-2-hydroxyphenyl)-3-oxoprop-1-en-1-yl)-4H-benzo[d][1,3]dioxine-6-carboxylic acid (CAS 170807-24-6) is a chemical compound with molecular formula C18H13FO6 and molecular weight 344.0696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(E)-3-(5-fluoro-2-hydroxyphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxine-6-carboxylic acid
Also Known As: (E)-8-(3-(5-fluoro-2-hydroxyphenyl)-3-oxoprop-1-en-1-yl)-4H-benzo[d][1,3]dioxine-6-carboxylic acid, 8-[(1E)-3-(5-fluoro-2-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-4H-1,3-benzodioxine-6-carboxylic acid, 8-[(E)-3-(5-Fluoro-2-hydroxy-phenyl)-3-oxo-propenyl]-4H-benzo[1,3]dioxine-6-carboxylic acid, 8-[(E)-3-(5-fluoro-2-hydroxyphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxine-6-carboxylic acid
| Molecular Formula | C18H13FO6 |
| Molecular Weight | 344.0696 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0696 Da |
| Heavy Atoms | 25 |
| Complexity | 536.0 |
| SMILES | C1C2=C(C(=CC(=C2)C(=O)O)/C=C/C(=O)C3=C(C=CC(=C3)F)O)OCO1 |
| InChIKey | DYRKPVJVCHHSEL-HNQUOIGGSA-N |
The XLogP value of 3.0 indicates that (E)-8-(3-(5-fluoro-2-hydroxyphenyl)-3-oxoprop-1-en-1-yl)-4H-benzo[d][1,3]dioxine-6-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-(3-(5-fluoro-2-hydroxyphenyl)-3-oxoprop-1-en-1-yl)-4H-benzo[d][1,3]dioxine-6-carboxylic acid. Following Lipinski's Rule of Five, (E)-8-(3-(5-fluoro-2-hydroxyphenyl)-3-oxoprop-1-en-1-yl)-4H-benzo[d][1,3]dioxine-6-carboxylic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-8-(3-(5-fluoro-2-hydroxyphenyl)-3-oxoprop-1-en-1-yl)-4H-benzo[d][1,3]dioxine-6-carboxylic acid is 170807-24-6.
The molecular formula of (E)-8-(3-(5-fluoro-2-hydroxyphenyl)-3-oxoprop-1-en-1-yl)-4H-benzo[d][1,3]dioxine-6-carboxylic acid is C18H13FO6.
The molecular weight of (E)-8-(3-(5-fluoro-2-hydroxyphenyl)-3-oxoprop-1-en-1-yl)-4H-benzo[d][1,3]dioxine-6-carboxylic acid is 344.0696 g/mol.
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