Plicatic acid
TL;DR: Plicatic acid (CAS 165315-00-4) is a chemical compound with molecular formula C20H22O10 and molecular weight 422.1213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dihydroxy-5-methoxyphenyl)-2,4,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Also Known As: Plicatic acid, KST-1B0866, NCI60_041575, 1-(3,4-dihydroxy-5-methoxyphenyl)-2,4,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid, 1-(3,4-dihydroxy-5-methoxy-phenyl)-2,4,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-tetralin-2-carboxylic acid
Technical Specifications
| Molecular Formula | C20H22O10 |
| Molecular Weight | 422.1213 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1213 Da |
| Heavy Atoms | 30 |
| Complexity | 616.0 |
| SMILES | COC1=CC(=CC(=C1O)O)C2C3=CC(=C(C=C3C(C(C2(C(=O)O)O)CO)O)OC)O |
| InChIKey | AEAWUUSSBHHSNE-UHFFFAOYSA-N |
Chemical Property Profile of Plicatic acid
Property Insights of Plicatic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Plicatic acid. The TPSA of 177.0 Ų indicates high polarity, suggesting Plicatic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Plicatic acid has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Plicatic acid?
The CAS number of Plicatic acid is 165315-00-4.
What is the molecular formula of Plicatic acid?
The molecular formula of Plicatic acid is C20H22O10.
What is the molecular weight of Plicatic acid?
The molecular weight of Plicatic acid is 422.1213 g/mol.
Where can I buy Plicatic acid?
You can request a quote for Plicatic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Plicatic acid?
Yes, CoreyChem provides custom synthesis services for Plicatic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.