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3-[4-[1-[4-(3-Chloro-2-hydroxypropoxy)phenyl]-1-methylethyl]phenoxy]-1,2-propanediol

3-[4-[1-[4-(3-Chloro-2-hydroxypropoxy)phenyl]-1-methylethyl]phenoxy]-1,2-propanediol structure

CAS No:
227947-06-0
Formula:
C21H27ClO5
Chemical Name:
3-[4-[1-[4-(3-Chloro-2-hydroxypropoxy)phenyl]-1-methylethyl]phenoxy]-1,2-propanediol
Synonyms:
1,2-Propanediol,3-[4-[1-[4-(3-chloro-2-hydroxypropoxy)phenyl]-1-methylethyl]phenoxy]-;3-[4-[1-[4-(3-Chloro-2-hydroxypropoxy)phenyl]-1-methylethyl]phenoxy]-1,2-propanediol;EPI 001;882690-01-9;1297605-27-6

Description

Bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether is the (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) diether of bisphenol A; a small molecule that inhibits transactivation of the AR amino-terminal domain (NTD). It has a role as an androgen antagonist. It is an organochlorine compound and a diether. It derives from a bisphenol A and a glycerol.

3-[4-[1-[4-(3-Chloro-2-hydroxypropoxy)phenyl]-1-methylethyl]phenoxy]-1,2-propanediol Basic Attributes

Molecular Weight：

394.88900

Exact Mass：

394.89

DSSTox ID：

DTXSID30400170

HScode：

2907230001

Characteristics

PSA：

79.15000

XLogP3：

2.72300

Density：

1.228g/cm3

Boiling Point：

601ºC at 760 mmHg

Flash Point：

317.2ºC

Refractive Index：

1.571

Storage Conditions：

2-8ºC

Vapor Pressure：

2.72E-15mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36

Marks：

GHS Classification：

|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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

EPI 001

Computed Properties

Molecular Weight:394.9
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:394.1547017
Monoisotopic Mass:394.1547017
Topological Polar Surface Area:79.2
Heavy Atom Count:27
Complexity:403
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: dinitrogen trioxide formula; calcium sulfite; cyclobutane; phthalic acid; calgon carbon; fe2o3 molar mass

Guide of 3-[4-[1-[4-(3-Chloro-2-hydroxypropoxy)phenyl]-1-methylethyl]phenoxy]-1,2-propanediol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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