Ibrutinib
Preliminary reference disclaimer
This preliminary safety reference is generated from structured MolGraph catalog fields and public reference-style data. It is not a supplier-issued Safety Data Sheet and should not be used as a substitute for supplier-issued documentation, workplace safety review, transport classification, or regulatory compliance decisions. For supplier SDS or COA, submit a documentation request through MolGraph.
Preliminary safety reference
Available
Supplier-issued SDS
Available by request
COA
Available by RFQ / lot confirmation
Transport classification
Requires shipment review
CAS Number
936563-96-1
Chemical name
Ibrutinib
Molecular formula
C25H24N6O2
Molecular weight
440.5 g/mol
Synonyms
IMBRUVICA; PCI 32765; ibrutinibum; 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one; 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one; 2-Propen-1-one, 1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-1-piperidinyl)-; 2-Propen-1-one, 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-; 1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one; 1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)pyrazolo(3,4-d)pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one; BTK Inhibitor PCI-32765; Ibrutinib (PCI-32765); (R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
InChIKey
XYFPWWZEPKGCCK-GOSISDBHSA-N
PubChem CID
24821094
Signal word
Warning
Catalog reference cue; confirm supplier documentation before use.
Hazard statements
H302
Catalog reference cue; confirm supplier documentation before use.
Appearance
White to off-white solid
Catalog reference value; verify against supplier SDS before use.
Water Solubility
3 × 10⁻³ mol/L
Catalog reference value; verify against supplier SDS before use.
pKa
3.74
Catalog reference value; verify against supplier SDS before use.
XLogP
3.6
Catalog reference value; verify against supplier SDS before use.
Shipment review
Shipment details require review before fulfillment.
Transport classification must be confirmed using supplier SDS and shipment documentation before dispatch.