Xerulinic acid
TL;DR: Xerulinic acid (CAS 132971-62-1) is a chemical compound with molecular formula C18H12O4 and molecular weight 292.07355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-(5-oxofuran-2-ylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid
Also Known As: Xerulinic acid, 14-(5-oxofuran-2-ylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid, 2,8,10,12-Tetradecatetraene-4,6-diynoicacid, 14-(5-oxo-2(5H)-furanylidene)-, (2E,8E,10E,12E,14Z)-, 14-(5-oxouran-2-ylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid
Technical Specifications
| Molecular Formula | C18H12O4 |
| Molecular Weight | 292.07355 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.07355 Da |
| Heavy Atoms | 22 |
| Complexity | 744.0 |
| SMILES | C1=CC(=O)OC1=CC=CC=CC=CC#CC#CC=CC(=O)O |
| InChIKey | PINXAKGQRZGYOZ-UHFFFAOYSA-N |
Chemical Property Profile of Xerulinic acid
Property Insights of Xerulinic acid
The XLogP value of 3.4 indicates that Xerulinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Xerulinic acid. Following Lipinski's Rule of Five, Xerulinic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Xerulinic acid?
The CAS number of Xerulinic acid is 132971-62-1.
What is the molecular formula of Xerulinic acid?
The molecular formula of Xerulinic acid is C18H12O4.
What is the molecular weight of Xerulinic acid?
The molecular weight of Xerulinic acid is 292.07355 g/mol.
Where can I buy Xerulinic acid?
You can request a quote for Xerulinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Xerulinic acid?
Yes, CoreyChem provides custom synthesis services for Xerulinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.