 Home > Encyclopedia > 1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one

1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one

1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one structure

CAS No:
936563-97-2
Formula:
C25H24N6O2
Chemical Name:
1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one
Synonyms:
2-Propen-1-one,1-[(3S)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-;1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one;1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
Categories:
Pharmaceutical Intermediates > Antineoplastics

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1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one Basic Attributes

Molecular Weight：

440.5

Exact Mass：

440.50

Characteristics

PSA：

99.16000

XLogP3：

4.73640

Density：

1.34±0.1 g/cm3

Boiling Point：

715.0±60.0 °C(Predicted)

PKA：

4.09±0.30

1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one Use and Manufacturing

(S)-Ibrutinib is a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.

Computed Properties

Molecular Weight:440.5
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:440.19607403
Monoisotopic Mass:440.19607403
Topological Polar Surface Area:99.2
Heavy Atom Count:33
Complexity:678
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one

Hangzhou Royalchem Co.,LTD Contact Supplier

CN
1 YR

Business licensed

Trader Supplier of Pharmaceutical intermediates

(S)-Ibrutinib RC00613

CAS No.: 936563-97-2

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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