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Propyl pyrazole triol

Propyl pyrazole triol structure

CAS No:
263717-53-9
Formula:
C24H22N2O3
Chemical Name:
Propyl pyrazole triol
Synonyms:
Phenol,4,4′,4′′-(4-propyl-1H-pyrazole-1,3,5-triyl)tris-;4,4′,4′′-(4-Propyl-1H-pyrazole-1,3,5-triyl)tris[phenol];PPT;Propyl pyrazole triol
Categories:
Chemical Reagents > Organic Reagents

Description

4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol is a pyrazole that is 1H-pyrazole bearing three 4-hydroxyphenyl substituents at positions 1, 3 and 5 as well as a propyl substituent at position 4. Potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM); displays 410-fold selectivity for ERalpha over ERbeta. Prevents ovariectomy-induced weight gain and loss of bone mineral density, and induces gene expression in the hypothalamus following systemic administration in vivo. It has a role as an estrogen receptor agonist. It is a member of pyrazoles and a member of phenols.

Propyl pyrazole triol Basic Attributes

Molecular Weight：

386.44

Exact Mass：

386.44

UNII：

0T83Y6JZPF

DSSTox ID：

DTXSID9040392

Characteristics

PSA：

78.51000

XLogP3：

5.27560

Density：

1.24±0.1 g/cm3

Melting Point：

230 °C (decomp)

Boiling Point：

630.0±55.0 °C(Predicted)

Flash Point：

334.8ºC

Refractive Index：

1.641

Storage Conditions：

2-8ºC

Vapor Pressure：

1.83E-16mmHg at 25°C

PKA：

8.80±0.15

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

1,3,5-tris(4-hydroxyphenyl)-4-propyl-1H-pyrazole

Computed Properties

Molecular Weight:386.4
XLogP3:5.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:386.16304257
Monoisotopic Mass:386.16304257
Topological Polar Surface Area:78.5
Heavy Atom Count:29
Complexity:494
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 263717-53-9

Grade: Reagent Grade

Content: 99%

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