Positional Isomer Of Ibrutinib (PCI-31433)

About Positional Isomer Of Ibrutinib (PCI-31433)

Positional Isomer Of Ibrutinib (PCI-31433) is an impurity of Ibrutinib carrying the CAS registry number 936563-92-7 with a typical assay of 97%. Its molecular formula is C25H24N6O2 and its molecular weight is 440.5 g/mol. Systematically, it is named 1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one. It is also known as Positional Isomer Of Ibrutinib ( PCI-31433 ).

The product is provided as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. Handle it with standard laboratory precautions and appropriate personal protective equipment.

Pharmaceutical QC and development laboratories use this impurity standard of Ibrutinib to develop and validate HPLC methods, to set specification limits and to document impurity profiles in ANDA and DMF submissions. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

We offer Positional Isomer Of Ibrutinib (PCI-31433) in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide. This item is currently in stock for prompt dispatch.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Ibrutinib

View every impurity, metabolite and intermediate we list for Ibrutinib.

Ibrutinib impurities

Specifications & identifiers

Chemical identifiers
Product name	Positional Isomer Of Ibrutinib (PCI-31433)
Catalogue No.	VQ-005633
CAS Number	936563-92-7
IUPAC name	1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
Molecular formula	C₂₅H₂₄N₆O₂
Molecular weight	440.5 g/mol
Exact mass	440.1961
Grade	Reference Standard
Purity / assay	97%
HSN code	38229090
InChIKey	KALPRSFUZYGTNU-UHFFFAOYSA-N
SMILES	C=CC(=O)N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
PubChem CID	24821880

Physical properties
Physical form	Solid
LogP (XLogP3)	3.6
H-bond donors / acceptors	1 / 6
TPSA	99.2 Å²

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Positional Isomer Of Ibrutinib (PCI-31433)?

The CAS Registry Number of Positional Isomer Of Ibrutinib (PCI-31433) is 936563-92-7. It is also known as Positional Isomer Of Ibrutinib ( PCI-31433 ).

What is the molecular formula and molecular weight of Positional Isomer Of Ibrutinib (PCI-31433)?

Positional Isomer Of Ibrutinib (PCI-31433) has the molecular formula C25H24N6O2 and a molecular weight of 440.5 g/mol. Its IUPAC name is 1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one.

What is Positional Isomer Of Ibrutinib (PCI-31433) used for?

Positional Isomer Of Ibrutinib (PCI-31433) is supplied as a characterised reference material related to Ibrutinib. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of Positional Isomer Of Ibrutinib (PCI-31433) can I order?

We supply Positional Isomer Of Ibrutinib (PCI-31433) in Reference Standard (97%) grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Positional Isomer Of Ibrutinib (PCI-31433)?

Yes. Every lot of Positional Isomer Of Ibrutinib (PCI-31433) is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Positional Isomer Of Ibrutinib (PCI-31433) be shipped internationally?

Yes. We export Positional Isomer Of Ibrutinib (PCI-31433) worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.