Puerarin
TL;DR: Puerarin (CAS 1214050-08-4) is a chemical compound with molecular formula C21H20O9 and molecular weight 416.11072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-hydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Also Known As: Puerarin, Kakonein, Pneranin, puerarin [M+H]+, Daidzein-8-C-glucoside
Technical Specifications
| Molecular Formula | C21H20O9 |
| Molecular Weight | 416.11072 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.11072 Da |
| Heavy Atoms | 30 |
| Complexity | 659.0 |
| SMILES | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O |
| InChIKey | HKEAFJYKMMKDOR-UHFFFAOYSA-N |
Chemical Property Profile of Puerarin
Property Insights of Puerarin
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Puerarin. The TPSA of 157.0 Ų indicates high polarity, suggesting Puerarin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Puerarin has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Puerarin?
The CAS number of Puerarin is 1214050-08-4.
What is the molecular formula of Puerarin?
The molecular formula of Puerarin is C21H20O9.
What is the molecular weight of Puerarin?
The molecular weight of Puerarin is 416.11072 g/mol.
Where can I buy Puerarin?
You can request a quote for Puerarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Puerarin?
Yes, CoreyChem provides custom synthesis services for Puerarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.