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Chemical structure of Canertinib dihydrochloride

GC12087

Canertinib dihydrochloride

Also known as N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide;dihydrochloride

A pan-ErbB tyrosine kinase inhibitor

ChemicalCAS289499-45-2MW558.87FormulaC24H27Cl3FN5O3
CAS number
289499-45-2
Molecular weight
558.87
Formula
C24H27Cl3FN5O3
Solubility
≥ 55·9 mg/mL in DMSO with gentle warming, ≥ 8·96 mg/mL in EtOH with ultrasonic and warming, ≥ 21·8 mg/mL in Water with ultrasonic and warming
InChIKey
JZZFDCXSFTVOJY-UHFFFAOYSA-N
Catalogue number
GC12087
Brand
GLPBIO
Computed properties PubChem CID 156413 · TPSA 88.6 Ų · H-bond donors 4 · H-bond acceptors 8
TPSA
88.6 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
36

SMILES C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4.Cl.Cl

Computed descriptors from PubChem (CID 156413), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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