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2-(p-Toluenesulfonylamino)phenylboronic acid pinacol ester

2-(p-Toluenesulfonylamino)phenylboronic acid pinacol ester

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Molecular Formula:

C19H24BNO4S

Molecular Weight:

373.27

CAS Number:

796061-07-9

Catalog Number:

796061-07-9

Product Information

Molecular Formula:

C19H24BNO4S

Molecular Weight:

373.27

Description

2-(p-Toluenesulfonylamino)phenylboronic acid pinacol ester is a biochemical used for biomedical applications. It functions as a synthetic intermediate in pharmaceutical production. This compound contributes to the formation of novel kinase inhibitors, crucial for the treatment of cancers and inflammatory diseases.

Synonyms

N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-p-toluenesulfonamide

IUPAC Name

4-methyl-N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H24BNO4S/c1-14-10-12-15(13-11-14)26(22,23)21-17-9-7-6-8-16(17)20-24-18(2,3)19(4,5)25-20/h6-13,21H,1-5H3

InChI Key

XJERZPFENBAXMZ-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

97%

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

373.1519096 g/mol

Monoisotopic Mass

373.1519096 g/mol

Topological Polar Surface Area

73Å²

Heavy Atom Count

Formal Charge

Complexity

577

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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2-(p-Toluenesulfonylamino)phenylboronic acid pinacol ester

Product Information

Safety Information

Computed Properties

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