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3,3',5,5'-Tetra(tert-Butyl)[1,1'-biphenyl]-4,4'-diol

3,3',5,5'-Tetra(tert-Butyl)[1,1'-biphenyl]-4,4'-diol

Inquiry

Molecular Formula:

C28H42O2

Molecular Weight:

410.63

CAS Number:

128-38-1

Catalog Number:

128-38-1

Product Information

Molecular Formula:

C28H42O2

Molecular Weight:

410.63

Description

3,3',5,5'-Tetra(tert-Butyl)[1,1'-biphenyl]-4,4'-diol manifests as an extraordinary antioxidant and free radical scavenger in cellular systems. It is widely used in drug development for malignant diseases such as cancer, inflammation and neurodegenerative diseases.

Synonyms

3,3',5,5'-TETRA(TERT-BUTYL)[1,1'-BIPHENYL]-4,4'-DIOL; 3,3',5,5'-TETRA-TERT-BUTYL-4,4'-DIHYDROXYBIPHENYL; 3,3',5,5'-tetra-tert-butylbiphenyl-4,4'-diol; 4,4'-bis(2,6-di-tert-butylphenol); 4,4-DI-(2,6-DI-TERT-BUTYLPHENOL); 3,3'',5,5''-Tetra-tert-butyl-4,4''-biph

IUPAC Name

2,6-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)phenol

Canonical SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C28H42O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3

InChI Key

GSOYMOAPJZYXTB-UHFFFAOYSA-N

Boiling Point

460.4ºC at 760 mmHg

Melting Point

185ºC

Purity

95%

Density

0.981g/cm3

Appearance

Light orange to Yellow to Green powder to crystal

Computed Properties

XLogP3

9.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

410.318480578 g/mol

Monoisotopic Mass

410.318480578 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

465

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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3,3',5,5'-Tetra(tert-Butyl)[1,1'-biphenyl]-4,4'-diol

Product Information

Computed Properties

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