Acetylfilicinic acid
TL;DR: Acetylfilicinic acid (CAS 16302-39-9) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-acetyl-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Also Known As: Acetylfilicinic acid, Filicinic acid A, 2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4,4-dimethyl-, 4-acetyl-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one, 2-Acetyl-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohexadien-1-one
Technical Specifications
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.07356 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.07356 Da |
| Heavy Atoms | 14 |
| Complexity | 372.0 |
| SMILES | CC(=O)C1=C(C(C(=O)C=C1O)(C)C)O |
| InChIKey | XNTMMPOVJUNGHY-UHFFFAOYSA-N |
Chemical Property Profile of Acetylfilicinic acid
Property Insights of Acetylfilicinic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylfilicinic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylfilicinic acid. Following Lipinski's Rule of Five, Acetylfilicinic acid has 2 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 Acetylfilicinic acid?
The CAS number of Acetylfilicinic acid is 16302-39-9.
What is the molecular formula of Acetylfilicinic acid?
The molecular formula of Acetylfilicinic acid is C10H12O4.
What is the molecular weight of Acetylfilicinic acid?
The molecular weight of Acetylfilicinic acid is 196.07356 g/mol.
Where can I buy Acetylfilicinic acid?
You can request a quote for Acetylfilicinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetylfilicinic acid?
Yes, CoreyChem provides custom synthesis services for Acetylfilicinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.