Foropafant

Base Information

• Chemical Name: Foropafant
• CAS No.: 136468-36-5
• Molecular Formula: C28H40N4S
• Molecular Weight: 464.71
• UNII: VWJ2QVH41J
• DSSTox Substance ID: DTXSID80869859
• Nikkaji Number: J438.885B
• Wikidata: Q27077703
• NCI Thesaurus Code: C65756
• Pharos Ligand ID: 3AP4TUTTN9ND
• ChEMBL ID: CHEMBL1628662
• Mol file: 136468-36-5.mol

Synonyms:Foropafant;N-(2-dimethylaminoethyl)-N-(3-pyridinylmethyl)(4-(2,4,6-triisopropylphenyl)thiazol-2-yl)amine;SR 27417;SR-27417;SR27417A

Chemical Property of Foropafant

Chemical Property:

• Vapor Pressure: 4.49E-13mmHg at 25°C
• Refractive Index: 1.575
• Boiling Point: 571.6 °C at 760 mmHg
• PKA: 8.75±0.28(Predicted)
• Flash Point: 299.5 °C
• PSA: 60.50000
• Density: 1.065 g/cm³
• LogP: 7.14350
• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble5mg/mL (clear solution, warmed)
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 464.29736847
• Heavy Atom Count: 33
• Complexity: 548

Purity/Quality:

98%min ^*data from raw suppliers

SR 27417 ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CSC(=N2)N(CCN(C)C)CC3=CN=CC=C3)C(C)C