Ioxynil octanoate
TL;DR: Ioxynil octanoate (CAS 3861-47-0) is a chemical compound with molecular formula C15H17I2NO2 and molecular weight 496.93488 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-cyano-2,6-diiodophenyl) octanoate
Also Known As: Ioxynil octanoate, Totril, Ioxynil-octanoate, Oxytril, Actril
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H17I2NO2 |
| Molecular Weight | 496.93488 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.93488 Da |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
| SMILES | CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I |
| InChIKey | QBEXFUOWUYCXNI-UHFFFAOYSA-N |
Chemical Property Profile of Ioxynil octanoate
Property Insights of Ioxynil octanoate
The XLogP value of 5.7 indicates that Ioxynil octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Ioxynil octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ioxynil octanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ioxynil octanoate?
The CAS number of Ioxynil octanoate is 3861-47-0.
What is the molecular formula of Ioxynil octanoate?
The molecular formula of Ioxynil octanoate is C15H17I2NO2.
What is the molecular weight of Ioxynil octanoate?
The molecular weight of Ioxynil octanoate is 496.93488 g/mol.
Where can I buy Ioxynil octanoate?
You can request a quote for Ioxynil octanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ioxynil octanoate?
Yes, CoreyChem provides custom synthesis services for Ioxynil octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.