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3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-

3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4- structure

CAS No:
330786-24-8
Formula:
C17H13N5O
Chemical Name:
3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-
Synonyms:
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine;Ibrutinib N-2;Ibrutinib deacryloylpiperidine;1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-;C17H13N5O;SCHEMBL200349;CHEMBL1242204;BCP08092;CS-M2418
Categories:
Pharmaceutical Intermediates > Antineoplastics

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3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4- Basic Attributes

Molecular Weight：

303.32

Exact Mass：

303.11201

Characteristics

PSA：

89.7

XLogP3：

3.97560

Density：

1.380±0.06 g/cm3(Predicted)

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:303.32
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:303.11201006
Monoisotopic Mass:303.11201006
Topological Polar Surface Area:89.7
Heavy Atom Count:23
Complexity:381
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-

Basic Attributes
Characteristics
Safety Information
Computed Properties
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3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-

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