Flufenacet
TL;DR: Flufenacet (CAS 142459-58-3) is a chemical compound with molecular formula C14H13F4N3O2S and molecular weight 363.06647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide
Also Known As: Flufenacet, Fluthiamide, Thiafluamide, Fluthiamid, Flufenacet [ISO]
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H13F4N3O2S |
| Molecular Weight | 363.06647 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.06647 Da |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
| Melting Point | 76-79 °C |
| Boiling Point | Decomposes |
| Density | 1.312 g/mL |
| Vapor Pressure | 0.00000067 [mmHg] |
| Solubility | Solubility in organic solvents (g/L at 20 °C): n-hexane - 8.7; toluene - >200; dichloromethane - >200; 2-propanol - 170; 1-octanol - 88; polyethylene glycol - 74; acetone - >200; dimethylformamide - >200; acetonitrile - >200; dimethylsulfoxide - >200 |
| SMILES | CC(C)N(C1=CC=C(C=C1)F)C(=O)COC2=NN=C(S2)C(F)(F)F |
| InChIKey | IANUJLZYFUDJIH-UHFFFAOYSA-N |
Chemical Property Profile of Flufenacet
Property Insights of Flufenacet
The XLogP value of 3.6 indicates that Flufenacet is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Flufenacet. Following Lipinski's Rule of Five, Flufenacet has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Flufenacet?
The CAS number of Flufenacet is 142459-58-3.
What is the molecular formula of Flufenacet?
The molecular formula of Flufenacet is C14H13F4N3O2S.
What is the molecular weight of Flufenacet?
The molecular weight of Flufenacet is 363.06647 g/mol.
Where can I buy Flufenacet?
You can request a quote for Flufenacet directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Flufenacet?
Yes, CoreyChem provides custom synthesis services for Flufenacet and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.