Products 1050500-29-2

CAS 1050500-29-2 appears in our catalog under these names: Allitinib tosylate/ 98.52% (existing batch purity), AST–1306 TsOH, Allitinib tosylate 99%, AST-1306 (tosylate), 99%, 99%, Allitinib tosylate, 99.54%. Offered by: TargetMol, GLPBio, Ambeed, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 200mg, 250mg.

Structural formula: {0} (CAS {1})

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide;4-methylbenzenesulfonic acid (CAS 1050500-29-2) is a chemical compound with the molecular formula C31H26ClFN4O5S and a molecular weight of 621.1 g/mol. IUPAC name: N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide;4-methylbenzenesulfonic acid. InChIKey: ZMUKJEHWLJBODV-UHFFFAOYSA-N.

Identity
Molecular formulaC31H26ClFN4O5S
Molecular weight621.1 g/mol
IUPAC nameN-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide;4-methylbenzenesulfonic acid
InChIKeyZMUKJEHWLJBODV-UHFFFAOYSA-N
SMILESCC1=CC=C(C=C1)S(=O)(=O)O.C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

Computed by PubChem (NCBI)