Isoxaflutole
TL;DR: Isoxaflutole (CAS 141112-29-0) is a chemical compound with molecular formula C15H12F3NO4S and molecular weight 359.0439 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
Also Known As: Isoxaflutole, Merlin, Balance, IFT cpd, Provence
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H12F3NO4S |
| Molecular Weight | 359.0439 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.0439 Da |
| Heavy Atoms | 24 |
| Complexity | 597.0 |
| Melting Point | 138-138.5 °C |
| Density | 1.590 g/cu cm |
| Vapor Pressure | 0.00000001 [mmHg] |
| Solubility | In water, 6.2 mg/L at pH 5.5 and 20 °C |
| SMILES | CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3 |
| InChIKey | OYIKARCXOQLFHF-UHFFFAOYSA-N |
Chemical Property Profile of Isoxaflutole
Property Insights of Isoxaflutole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxaflutole. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxaflutole. Following Lipinski's Rule of Five, Isoxaflutole has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoxaflutole?
The CAS number of Isoxaflutole is 141112-29-0.
What is the molecular formula of Isoxaflutole?
The molecular formula of Isoxaflutole is C15H12F3NO4S.
What is the molecular weight of Isoxaflutole?
The molecular weight of Isoxaflutole is 359.0439 g/mol.
Where can I buy Isoxaflutole?
You can request a quote for Isoxaflutole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoxaflutole?
Yes, CoreyChem provides custom synthesis services for Isoxaflutole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.