Ellagic Acid
TL;DR: Ellagic Acid (CAS 133039-73-3) is a chemical compound with molecular formula C14H6O8 and molecular weight 302.00626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Also Known As: ellagic acid, Benzoaric acid, Lagistase, Elagostasine, Eleagic acid
Technical Specifications
| Molecular Formula | C14H6O8 |
| Molecular Weight | 302.00626 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.00626 Da |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
| SMILES | C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O |
| InChIKey | AFSDNFLWKVMVRB-UHFFFAOYSA-N |
Chemical Property Profile of Ellagic Acid
Property Insights of Ellagic Acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ellagic Acid. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ellagic Acid. Following Lipinski's Rule of Five, Ellagic Acid has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ellagic Acid?
The CAS number of Ellagic Acid is 133039-73-3.
What is the molecular formula of Ellagic Acid?
The molecular formula of Ellagic Acid is C14H6O8.
What is the molecular weight of Ellagic Acid?
The molecular weight of Ellagic Acid is 302.00626 g/mol.
Where can I buy Ellagic Acid?
You can request a quote for Ellagic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ellagic Acid?
Yes, CoreyChem provides custom synthesis services for Ellagic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.