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Ibrutinib

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Ibrutinib / CAS : 936563-96-1

Appearance White or off white solid UN 0.0
HS 30049090 DG Class 0.0
Synonyms Imbruvica
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Properties

Summary

Formula
C25H24N6O2
Molecular Mass
440.5
Exact Mass
440.19600
PSA
99.16000
Logp
4.73640
IUPAC
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
SMILES
C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
API & Intermediate > Antineoplastic Agents

Chemical and Physical Properties

Melting Point
149～158 ℃
Density
1.34
Boiling Point
715.0±60.0 °C(Predicted)
Appearance
White or off white solid
Acidity and Basicity
neutral

Export information

HS Code
30049090
Export Rebate
13%
UN No.
0.0
DG-Class
0.0

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