TL;DR: Sinapic acid (CAS 530-59-6) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
Also Known As: SINAPIC ACID, Sinapinic acid, trans-sinapic acid, Synapoic acid, 4-Hydroxy-3,5-dimethoxycinnamic acid
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H12O5 |
| Molecular Weight | 224.06847 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.06847 Da |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
| SMILES | COC1=CC(=CC(=C1O)OC)C=CC(=O)O |
| InChIKey | PCMORTLOPMLEFB-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sinapic acid. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sinapic acid. Following Lipinski's Rule of Five, Sinapic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Sinapic acid is 530-59-6.
The molecular formula of Sinapic acid is C11H12O5.
The molecular weight of Sinapic acid is 224.06847 g/mol.
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