(5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione

Base Information

• Chemical Name: (5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione
• CAS No.: 1218777-13-9
• Molecular Formula: C14H8FNO3S
• Molecular Weight: 289.28
• UNII: S8TQU87RAT
• DSSTox Substance ID: DTXSID60360955
• Wikidata: Q72475962
• ChEMBL ID: CHEMBL590022
• Mol file: 1218777-13-9.mol

Synonyms:CAY10505;1218777-13-9;(E)-5-((5-(4-fluorophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione;S8TQU87RAT;CHEMBL590022;(5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione;CAY-10505;2,4-Thiazolidinedione, 5-[[5-(4-fluorophenyl)-2-furanyl]methylene]-;5-((5-(4-Fluorophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione;2,4-Thiazolidinedione, 5-((5-(4-fluorophenyl)-2-furanyl)methylene)-, (5E)-;(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;UNII-S8TQU87RAT;SCHEMBL13479680;SCHEMBL16416080;DTXSID60360955;EX-A1070;BDBM50308349;STK201819;AKOS000409173;BCP9000494;CCG-267369;CS-5662;AC-32657;HY-13530;S2682;SW113275-2;AB00083720-01;J-004691

Chemical Property of (5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione

Chemical Property:

• PKA: 7.21±0.20(Predicted)
• PSA: 88.10000
• Density: 1.466
• LogP: 3.68550
• Solubility.: insoluble in EtOH; insoluble in H2O; ≥14.45 mg/mL in DMSO
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 289.02089245
• Heavy Atom Count: 20
• Complexity: 446

Purity/Quality:

98% min ^*data from raw suppliers

CAY10505 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=O)S3)F
• Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(O2)/C=C/3\C(=O)NC(=O)S3)F
• Uses: CAY10505 is a phosphoinositide 3-kinase gamma (PI3Kγ) specific inhibitor and improves hypertension-associated vascular endothelial dysfunction.