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5026-65-3,MFCD00016428
Catalog No.:AA003QSX

5026-65-3 | Hexadecyl 3,4,5-trihydroxybenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
>95.0%(GC)
in stock  
$53.00   $37.00
- +
25g
>95.0%(GC)
in stock  
$186.00   $130.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003QSX
Chemical Name:
Hexadecyl 3,4,5-trihydroxybenzoate
CAS Number:
5026-65-3
Molecular Formula:
C23H38O5
Molecular Weight:
394.5448
MDL Number:
MFCD00016428
SMILES:
CCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O
Properties
Properties
 
BP:
562.6°C at 760 mmHg  
Form:
Solid  
MP:
100 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
375  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
17  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
8  

Downstream Synthesis Route

[1]Zhao,Xiao-Long;Li,Chun-Qing;Song,Xiao-Mei;Yan,Shuang-Mei;Luo,Du-Qiang[ChemistryofNaturalCompounds,2021,vol.57,#1,p.38-43][Khim.Prir.Soedin.,2021,vol.57,p.6,6]

[2]Savi,LucianeA.;Leal,PauloC.;Vieira,TiagoO.;Rosso,Rober;Nunes,RicardoJ.;Yunes,RosendoA.;Creczynski-Pasa,TaniaB.;Barardi,CeliaR.M.;Simoes,ClaudiaMariaOliveira[Arzneimittel-Forschung/DrugResearch,2005,vol.55,#1,p.66-75]

[3]vanderKerketal.[RecueildesTravauxChimiquesdesPays-Bas,1951,vol.70,p.277,281]

[4]Oshimaetal.[NipponNogeikagakuKaishi,1951,vol.25,p.53][Chem.Abstr.,1953,p.6153]

Literature

Title: Effects of alkyl chain length of gallate on self-association and membrane binding.

Journal: Journal of biochemistry 20110801

Title: Relation between lipophilicity of alkyl gallates and antifungal activity against yeasts and filamentous fungi.

Journal: Bioorganic & medicinal chemistry letters 20090315

Title: Anti-HSV-1 and anti-HIV-1 activity of gallic acid and pentyl gallate.

Journal: Memorias do Instituto Oswaldo Cruz 20080801

Title: Evaluation of anti-herpetic and antioxidant activities, and cytotoxic and genotoxic effects of synthetic alkyl-esters of gallic acid.

Journal: Arzneimittel-Forschung 20050101

Title: Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.

Journal: Journal of natural products 20010801

Title: Green tea polyphenols as potent enhancers of glucocorticoid-induced mouse mammary tumor virus gene expression.

Journal: Biochemical and biophysical research communications 20010216

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SDS
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Tags:5026-65-3 Molecular Formula|5026-65-3 MDL|5026-65-3 SMILES|5026-65-3 Hexadecyl 3,4,5-trihydroxybenzoate
Catalog No.: AA003QSX
5026-65-3,MFCD00016428
5026-65-3 | Hexadecyl 3,4,5-trihydroxybenzoate
Pack Size： 5g
Purity： >95.0%(GC)
in stock
$53.00 $37.00
Pack Size： 25g
Purity： >95.0%(GC)
in stock
$186.00 $130.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA003QSX
Chemical Name: Hexadecyl 3,4,5-trihydroxybenzoate
CAS Number: 5026-65-3
Molecular Formula: C23H38O5
Molecular Weight: 394.5448
MDL Number: MFCD00016428
SMILES: CCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O
Properties
BP: 562.6°C at 760 mmHg  
Form: Solid  
MP: 100 °C  
Storage: Keep in dry area;2-8℃;  
Complexity: 375  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 28  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 17  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 8  
Downstream Synthesis Route
36653-82-4    149-91-7    5026-65-3 

[1]Zhao,Xiao-Long;Li,Chun-Qing;Song,Xiao-Mei;Yan,Shuang-Mei;Luo,Du-Qiang[ChemistryofNaturalCompounds,2021,vol.57,#1,p.38-43][Khim.Prir.Soedin.,2021,vol.57,p.6,6]

[2]Savi,LucianeA.;Leal,PauloC.;Vieira,TiagoO.;Rosso,Rober;Nunes,RicardoJ.;Yunes,RosendoA.;Creczynski-Pasa,TaniaB.;Barardi,CeliaR.M.;Simoes,ClaudiaMariaOliveira[Arzneimittel-Forschung/DrugResearch,2005,vol.55,#1,p.66-75]

[3]vanderKerketal.[RecueildesTravauxChimiquesdesPays-Bas,1951,vol.70,p.277,281]

[4]Oshimaetal.[NipponNogeikagakuKaishi,1951,vol.25,p.53][Chem.Abstr.,1953,p.6153]

Literature fold

Title: Effects of alkyl chain length of gallate on self-association and membrane binding.

Journal: Journal of biochemistry20110801

Title: Relation between lipophilicity of alkyl gallates and antifungal activity against yeasts and filamentous fungi.

Journal: Bioorganic & medicinal chemistry letters20090315

Title: Anti-HSV-1 and anti-HIV-1 activity of gallic acid and pentyl gallate.

Journal: Memorias do Instituto Oswaldo Cruz20080801

Title: Evaluation of anti-herpetic and antioxidant activities, and cytotoxic and genotoxic effects of synthetic alkyl-esters of gallic acid.

Journal: Arzneimittel-Forschung20050101

Title: Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.

Journal: Journal of natural products20010801

Title: Green tea polyphenols as potent enhancers of glucocorticoid-induced mouse mammary tumor virus gene expression.

Journal: Biochemical and biophysical research communications20010216

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