Fluthiacet-methyl
TL;DR: Fluthiacet-methyl (CAS 117337-19-6) is a chemical compound with molecular formula C15H15ClFN3O3S2 and molecular weight 403.02274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate
Also Known As: Fluthiacet-methyl, Action, Blizzard, Fluthiacet methyl, Appeal
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H15ClFN3O3S2 |
| Molecular Weight | 403.02274 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.02274 Da |
| Heavy Atoms | 25 |
| Complexity | 568.0 |
| Melting Point | 104.6 °C |
| Density | 0.43 (bulk at 20 °C) |
| Vapor Pressure | 4.41X10-4 mPa at 25 °C /3.31X10-9 mm Hg/ |
| Solubility | In methanol 4.41, acetone 101, toluene 84, n-octanol 1.86, acetonitrile 68.7, ethyl acetate 73.5, dichloromethane 9 (all in g/L at 25 °C); in n-hexane 0.232 g/L at 20 °C. |
| SMILES | COC(=O)CSC1=C(C=C(C(=C1)N=C2N3CCCCN3C(=O)S2)F)Cl |
| InChIKey | ZCNQYNHDVRPZIH-UHFFFAOYSA-N |
Chemical Property Profile of Fluthiacet-methyl
Property Insights of Fluthiacet-methyl
The XLogP value of 3.9 indicates that Fluthiacet-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Fluthiacet-methyl. Following Lipinski's Rule of Five, Fluthiacet-methyl has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Fluthiacet-methyl?
The CAS number of Fluthiacet-methyl is 117337-19-6.
What is the molecular formula of Fluthiacet-methyl?
The molecular formula of Fluthiacet-methyl is C15H15ClFN3O3S2.
What is the molecular weight of Fluthiacet-methyl?
The molecular weight of Fluthiacet-methyl is 403.02274 g/mol.
Where can I buy Fluthiacet-methyl?
You can request a quote for Fluthiacet-methyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Fluthiacet-methyl?
Yes, CoreyChem provides custom synthesis services for Fluthiacet-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.