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5-Bromo-4-methoxy-2-TBDPS(benzyloxy)-boronic acid MIDA ester

5-Bromo-4-methoxy-2-TBDPS(benzyloxy)-boronic acid MIDA ester

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Molecular Formula:

C29H33BBrNO6Si

Molecular Weight:

610.38

Product Information

Molecular Formula:

C29H33BBrNO6Si

Molecular Weight:

610.38

Description

5-Bromo-4-methoxy-2-TBDPS(benzyloxy)-boronic acid MIDA ester is a prominent compound extensively employed in the biomedical domain and represents a multifaceted intermediary facilitating the fabrication of diverse therapeutic agents and pharmaceuticals. Manifesting remarkable efficacy against maladies such as cancer, inflammation, and neurological disorders, this product assumes an indispensable stature in the arena of disease management. Boasting compelling inhibitory attributes directed towards specific targets, it assumes a pivotal role in the realm of drug exploration and advancement.

IUPAC Name

2-[5-bromo-2-[[tert-butyl(diphenyl)silyl]methoxy]-4-methoxyphenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=C(C=C2OC[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OC)Br

InChI

InChI=1S/C29H33BBrNO6Si/c1-29(2,3)39(21-12-8-6-9-13-21,22-14-10-7-11-15-22)20-36-25-17-26(35-5)24(31)16-23(25)30-37-27(33)18-32(4)19-28(34)38-30/h6-17H,18-20H2,1-5H3

InChI Key

PJKLECQBURGBHI-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

609.13536 g/mol

Monoisotopic Mass

609.13536 g/mol

Topological Polar Surface Area

74.3Å²

Heavy Atom Count

Formal Charge

Complexity

793

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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5-Bromo-4-methoxy-2-TBDPS(benzyloxy)-boronic acid MIDA ester

Product Information

Computed Properties

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