TL;DR: 2,4-Dihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]benzoic acid (CAS 108051-40-7) is a chemical compound with molecular formula C17H14O7 and molecular weight 330.07394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]benzoic acid
Also Known As: 2,4-Dihydroxy-5-(3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)benzoic acid, BENZOIC ACID, 2,4-DIHYDROXY-5-(3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPENYL)-
| Molecular Formula | C17H14O7 |
| Molecular Weight | 330.07394 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.07394 Da |
| Heavy Atoms | 24 |
| Complexity | 489.0 |
| SMILES | COC1=C(C=CC(=C1)C=CC(=O)C2=CC(=C(C=C2O)O)C(=O)O)O |
| InChIKey | OASSDTYGNQBLPV-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2,4-Dihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]benzoic acid. Following Lipinski's Rule of Five, 2,4-Dihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]benzoic acid has 4 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 2,4-Dihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]benzoic acid is 108051-40-7.
The molecular formula of 2,4-Dihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]benzoic acid is C17H14O7.
The molecular weight of 2,4-Dihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]benzoic acid is 330.07394 g/mol.
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