Fludioxonil
TL;DR: Fludioxonil (CAS 131341-86-1) is a chemical compound with molecular formula C12H6F2N2O2 and molecular weight 248.03973 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
Also Known As: Fludioxonil, Scholar, Saphire, Savior, Geoxe
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H6F2N2O2 |
| Molecular Weight | 248.03973 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 58.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.03973 Da |
| Heavy Atoms | 18 |
| Complexity | 382.0 |
| Melting Point | 199.8 °C |
| Density | 1.54 at 20 °C |
| Vapor Pressure | 2.93X10-9 mm Hg at 25 °C |
| Solubility | In water, 1.8 mg/L at 25 °C |
| SMILES | C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N |
| InChIKey | MUJOIMFVNIBMKC-UHFFFAOYSA-N |
Chemical Property Profile of Fludioxonil
Property Insights of Fludioxonil
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fludioxonil. With a topological polar surface area (TPSA) of 58.0 Ų, Fludioxonil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fludioxonil has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Fludioxonil?
The CAS number of Fludioxonil is 131341-86-1.
What is the molecular formula of Fludioxonil?
The molecular formula of Fludioxonil is C12H6F2N2O2.
What is the molecular weight of Fludioxonil?
The molecular weight of Fludioxonil is 248.03973 g/mol.
Where can I buy Fludioxonil?
You can request a quote for Fludioxonil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Fludioxonil?
Yes, CoreyChem provides custom synthesis services for Fludioxonil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.