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Home > Encyclopedia > P,P,P′,P′-Tetraethyl P,P′-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis[phosphonate]

P,P,P′,P′-Tetraethyl P,P′-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis[phosphonate]

P,P,P′,P′-Tetraethyl P,P′-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis[phosphonate] structure

P,P,P′,P′-Tetraethyl P,P′-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis[phosphonate] 

structure
  • CAS No:

    126411-39-0

  • Formula:

    C24H42O7P2

  • Chemical Name:

    P,P,P′,P′-Tetraethyl P,P′-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis[phosphonate]

  • Synonyms:

    Phosphonic acid,P,P′-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis-,P,P,P′,P′-tetraethyl ester;Phosphonic acid,[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis-,tetraethyl ester;P,P,P′,P′-Tetraethyl P,P′-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis[phosphonate];SR 12813;GW 485801

Description

SR12813 is an organic phosphonate that is the tetraethyl ester of [2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethene-1,1-diyl]bis(phosphonic acid). It has a role as a pregnane X receptor agonist. It is a member of phenols and an organic phosphonate.

P,P,P′,P′-Tetraethyl P,P′-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis[phosphonate] Basic Attributes

504.5 g/mol

504.53

6Q7MN2PVB9

DTXSID90332221

Characteristics

91.3 Ų

120-121 °C

Drug Information

SR 12813

Computed Properties

Molecular Weight:504.5
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:13
Exact Mass:504.24057767
Monoisotopic Mass:504.24057767
Topological Polar Surface Area:91.3
Heavy Atom Count:33
Complexity:660
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of P,P,P′,P′-Tetraethyl P,P′-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis[phosphonate]

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