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1-(2-Chlorophenyl)-1,5-dihydro-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-4H-pyrazolo[3,4-d]pyrimidin-4-one

1-(2-Chlorophenyl)-1,5-dihydro-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-4H-pyrazolo[3,4-d]pyrimidin-4-one structure

CAS No:
794568-92-6
Formula:
C15H12ClF3N4O
Chemical Name:
1-(2-Chlorophenyl)-1,5-dihydro-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-4H-pyrazolo[3,4-d]pyrimidin-4-one
Synonyms:
4H-Pyrazolo[3,4-d]pyrimidin-4-one,1-(2-chlorophenyl)-1,5-dihydro-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-;1-(2-Chlorophenyl)-1,5-dihydro-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-4H-pyrazolo[3,4-d]pyrimidin-4-one;BAY 73-6691;(R)-BAY 73-6691

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1-(2-Chlorophenyl)-1,5-dihydro-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-4H-pyrazolo[3,4-d]pyrimidin-4-one Basic Attributes

Molecular Weight：

356.734

Exact Mass：

356.73

UNII：

80ZTV3INTW

Characteristics

PSA：

57.1

XLogP3：

3.6

Appearance：

off-white

Water Solubility：

DMSO: >20mg/mL

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

25-36/37/38

safety instructions：

26-45

Marks：

T,Xi

Precautionary statement(s)：

P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H300

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-(2-chlorophenyl)-6-((2R)-3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo(3,4-d)pyrimidine-4-one

Computed Properties

Molecular Weight:356.73
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:356.0651732
Monoisotopic Mass:356.0651732
Topological Polar Surface Area:59.3
Heavy Atom Count:24
Complexity:527
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2-Chlorophenyl)-1,5-dihydro-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-4H-pyrazolo[3,4-d]pyrimidin-4-one

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

1-(2-Chlorophenyl)-1,5-dihydro-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-4H-pyrazolo[3,4-d]pyrimidin-4-one

SDS

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