Product Code

TRC-D288160

Product Format

Neat

Molecular Formula

C25H26N6O2

Molecular Weight

442.51

Product Categories

TRC

Alternate CAS Number

1839099-22-7

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

rac-N-Desacryloyl N-Propionyl Ibrutinib

Molecular Formula

C25H26N6O2

Molecular Weight

442.51

Accurate Mass

442.21

SMILES

CCC(N1CC(N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C(N)N=CN=C52)CCC1)=O

InChI

InChI=1S/C25H26N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h3-5,8-13,16,18H,2,6-7,14-15H2,1H3,(H2,26,27,28)

IUPAC

1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one

Alternate CAS Number

1839099-22-7

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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rac-N-Desacryloyl N-Propionyl Ibrutinib

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