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2-[2-[3(S)-[3-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl-2-propanol

2-[2-[3(S)-[3-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl-2-propanol structure

CAS No:
287930-77-2
Formula:
C29H28ClNO2
Chemical Name:
2-[2-[3(S)-[3-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl-2-propanol
Synonyms:
Benzenepropanol,α-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-,(αS)-;(αS)-α-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol;(S)-1-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]-1-propanol;2-[2-[3(S)-[3-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl-2-propanol

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2-[2-[3(S)-[3-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl-2-propanol Basic Attributes

Molecular Weight：

457.99

Exact Mass：

457.99

EC Number：

608-251-3|604-295-2

UNII：

CA9LM1I3YM

Characteristics

PSA：

53.35000

XLogP3：

6.95220

Density：

1.244±0.06 g/cm3

Boiling Point：

636.8±55.0 °C(Predicted)

PKA：

14.10±0.20

Safety Information

GHS Classification：

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 97 companies from 1 notifications to the ECHA C&L Inventory.| |Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, 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.

2-[2-[3(S)-[3-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl-2-propanol Use and Manufacturing

A montelukast impurity.

Computed Properties

Molecular Weight:458.0
XLogP3:6.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:457.1808568
Monoisotopic Mass:457.1808568
Topological Polar Surface Area:53.4
Heavy Atom Count:33
Complexity:637
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2-[3(S)-[3-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl-2-propanol

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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