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Duvelisibint

Duvelisibint structure

CAS No:
1350643-72-9
Formula:
C17H15ClN2O
Chemical Name:
Duvelisibint
Synonyms:
Duvelisib int;(S)-3-(1-aminoethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one;3-[(1S)-1-aminoethyl]-8-chloro-2-phenyl-1,2-dihydroisoquinolin-1-one;3-[(1S)-1-aminoethyl]-8-chloro-2-phenyl-1(2H)-Isoquinolinone;1(2H)-Isoquinolinone, 3-[(1S)-1-aminoethyl]-8-chloro-2-phenyl-;Duvelisib int (IPi-145 int );(S)-3-(1-aminoethyl)-isoquinolin-1(2H)-one;(S)-3-(1-aninoehyl)-8-chloro-2-phenylisoquinolin-1(2H)-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Duvelisibint Basic Attributes

Molecular Weight：

298.77

Exact Mass：

298.0872908

EC Number：

813-285-9

Characteristics

PSA：

48.02000

XLogP3：

4.36410

Density：

1.296±0.06 g/cm3

Boiling Point：

477.9±45.0 °C(Predicted)

PKA：

10.59±0.29

Safety Information

GHS Classification：

|Warning|H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P264, P280, P302+P352, P305+P351+P338, P312, P322, P337+P313, P363, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:298.8
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:298.0872908
Monoisotopic Mass:298.0872908
Topological Polar Surface Area:46.3
Heavy Atom Count:21
Complexity:431
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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high quality IPI 145 intermediate 99% transparent liquid KANBEI

CAS No.: 1350643-72-9

Grade: Industrial Grade

Content: 99%

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