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3,5-Bis[3,5-bis(3,5-dimethoxybenzyloxy)benzyloxy]benzyl Bromide

3,5-Bis[3,5-bis(3,5-dimethoxybenzyloxy)benzyloxy]benzyl Bromide

Inquiry

Molecular Formula:

C57H59BrO14

Molecular Weight:

1047.98

CAS Number:

152811-37-5

Catalog Number:

152811-37-5

Product Information

Molecular Formula:

C57H59BrO14

Molecular Weight:

1047.98

Description

3,5-Bis[3,5-bis(3,5-dimethoxybenzyloxy)benzyloxy]benzyl Bromide is a potent bromide compound with a wide range of uses in the biomedical industry. Its special chemical structure allows it to exhibit inhibitory effects on a range of cancer types and autoimmune diseases.

Synonyms

1,3-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]-5-(bromomethyl)benzene; 3,5-Bis[3,5-bis(3,5-dimethoxybenzyloxy)benzyloxy]benzylBromide; 1,1',1'',1'''-tetrakis(3,5-dimethoxybenzene); 5,5',5'',5'''-((((((5-(Bromomethyl)-1,3-phenylene)bis(oxy))bis(methylene))bis(benzene-5,3,1-triyl))tetrakis(oxy))tetrakis(methylene))tetrakis(1,3-dimethoxybenzene)

IUPAC Name

1,3-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]-5-(bromomethyl)benzene

Canonical SMILES

COC1=CC(=CC(=C1)COC2=CC(=CC(=C2)COC3=CC(=CC(=C3)CBr)OCC4=CC(=CC(=C4)OCC5=CC(=CC(=C5)OC)OC)OCC6=CC(=CC(=C6)OC)OC)OCC7=CC(=CC(=C7)OC)OC)OC

InChI

InChI=1S/C57H59BrO14/c1-59-44-11-38(12-45(23-44)60-2)31-69-54-19-42(20-55(28-54)70-32-39-13-46(61-3)24-47(14-39)62-4)35-67-52-9-37(30-58)10-53(27-52)68-36-43-21-56(71-33-40-15-48(63-5)25-49(16-40)64-6)29-57(22-43)72-34-41-17-50(65-7)26-51(18-41)66-8/h9-29H,30-36H2,1-8H3

InChI Key

BMISSUNAKMQTFS-UHFFFAOYSA-N

Boiling Point

1043.4±60.0 °C(Predicted)

Purity

>97.0%(T)

Density

1.279±0.06 g/cm3(Predicted)

Appearance

White to Almost white powder to crystal

Storage

0-10°C

Safety Information

Hazards

H315 H319

Precautionary Statement

P264 P280 P302 + P352 P337 + P313 P305 + P351 + P338 P362+P364 P332 + P313

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

1046.30882 g/mol

Monoisotopic Mass

1046.30882 g/mol

Topological Polar Surface Area

129Å²

Heavy Atom Count

Formal Charge

Complexity

1230

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

Concentration _(start)

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Concentration _(final)

Volume _(final)

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3,5-Bis[3,5-bis(3,5-dimethoxybenzyloxy)benzyloxy]benzyl Bromide

Product Information

Safety Information

Computed Properties

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