Products 1288339-18-3

CAS 1288339-18-3 appears in our catalog under these names: Ibrutinib Impurity 97, 4-Hydroxy Ibrutinib. Offered by: Hubei YoungXin, TRC. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg.

Ibrutinib Impurity 97
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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4-Hydroxy Ibrutinib
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

1-[3-[4-amino-3-[4-(4-hydroxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one (CAS 1288339-18-3) is a chemical compound with the molecular formula C25H24N6O3 and a molecular weight of 456.5 g/mol. IUPAC name: 1-[3-[4-amino-3-[4-(4-hydroxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one. InChIKey: HJAGSCLKIGHKCE-UHFFFAOYSA-N.

Identity
Molecular formulaC25H24N6O3
Molecular weight456.5 g/mol
IUPAC name1-[3-[4-amino-3-[4-(4-hydroxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
InChIKeyHJAGSCLKIGHKCE-UHFFFAOYSA-N
SMILESC=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=C(C=C5)O)N

Computed by PubChem (NCBI)

Synonyms: 4-Hydroxy Ibrutinib
Isomers (same molecular formula)
1-[(3R)-3-[7-hydroxy-4-imino-3-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O3
1-[(3R)-3-[(1R)-4-amino-1-oxido-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O3
1-[(3R)-3-[5-hydroxy-4-imino-3-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O3
1-[(3R)-3-[(1S)-4-amino-1-oxido-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O3