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2-(3-Fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol

2-(3-Fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol structure

CAS No:
524684-52-4
Formula:
C15H10FNO3
Chemical Name:
2-(3-Fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol
Synonyms:
5-Benzoxazolol,7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-;7-Ethenyl-2-(3-fluoro-4-hydroxyphenyl)-5-benzoxazolol;2-(3-Fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol;ERB 041;Prinaberel;2-(3-Fluoro-4-hydroxyphenyl)-7-vinylbenzoxazol-5-ol;2-(3-Fluoro-4-hydroxyphenyl)-7-vinylbenzo[d]oxazol-5-ol

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Description

Prinaberel is an estrogen receptor beta agonist.

2-(3-Fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol Basic Attributes

Molecular Weight：

271.24

Exact Mass：

271.24

UNII：

A9C8MNF7CA

Characteristics

PSA：

66.49000

XLogP3：

3.68810

Density：

1.413

Melting Point：

250-252 °C

Boiling Point：

451.6±45.0 °C(Predicted)

Flash Point：

183.6ºC

PKA：

7.50±0.20

Safety Information

wgk germany：

hazard class code：

22-36

safety instructions：

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302; H319

Drug Information

MeSH Entry Terms：

ERB 041

2-(3-Fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol Use and Manufacturing

Prinaberel is a potent ERβ agonist; displays >200-fold selectivity for ERβ over ERα (IC50 values are 5 and 1216 nM for human ERβ and ERα; 3.1 and 620 nM for rat ERβ and ERα; and 3.7 and 750 nM for mouse ERβ and ERα respectively).

Computed Properties

Molecular Weight:271.24
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:271.06447134
Monoisotopic Mass:271.06447134
Topological Polar Surface Area:66.5
Heavy Atom Count:20
Complexity:367
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Prinaberel

CAS No.: 524684-52-4

Content: 99.00%

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Guide of 2-(3-Fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers

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