N6-Acryloyl Ibrutinib

cas: 2031255-27-1 — see every product listed under this CAS number, including other names

N6-Acryloyl Ibrutinib (CAS 2031255-27-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-A191305-100MG
cas2031255-27-1
size100mg
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Available pack sizes

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TRC 100mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

N-[3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-yl]prop-2-enamide (CAS 2031255-27-1) is a chemical compound with the molecular formula C28H26N6O3 and a molecular weight of 494.5 g/mol. IUPAC name: N-[3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-yl]prop-2-enamide. InChIKey: MEPHIAOJXIXZOG-HXUWFJFHSA-N.

Identity
Molecular formulaC28H26N6O3
Molecular weight494.5 g/mol
IUPAC nameN-[3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-yl]prop-2-enamide
InChIKeyMEPHIAOJXIXZOG-HXUWFJFHSA-N
SMILESC=CC(=O)NC1=C2C(=NN(C2=NC=N1)[C@@H]3CCCN(C3)C(=O)C=C)C4=CC=C(C=C4)OC5=CC=CC=C5

Computed by PubChem (NCBI)

Synonyms: N6-Acryloyl Ibrutinib, Ibrutinib Impurity 32, N6-AcryloylIbrutinib
Isomers (same molecular formula)
3-(4-phenoxyphenyl)-5-[(3R)-1-prop-2-enoylpiperidin-3-yl]-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one C28H26N6O3
3-imidazo[1,2-a]pyridin-3-yl-4-[10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione C28H26N6O3

Also listed as

Ibrutinib impurity 1 MedChemExpress CAS 2031255-27-1
Ibrutinib Impurity 32 Chemat Brand CAS 2031255-27-1
Ibrutinib Impurity 2 Chemat Brand CAS 2031255-27-1