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2,1,3-Benzothiadiazole-4,7-bis(boronic acid pinacol ester)

2,1,3-Benzothiadiazole-4,7-bis(boronic acid pinacol ester)

Inquiry

Molecular Formula:

C18H26B2N2O4S

Molecular Weight:

388.1

CAS Number:

934365-16-9

Catalog Number:

934365-16-9

Product Information

Molecular Formula:

C18H26B2N2O4S

Molecular Weight:

388.1

Description

2,1,3-Benzothiadiazole-4,7-bis(boronic acid pinacol ester) is a versatile compound used in the biomedical industry. It exhibits potential in the development of drugs targeting chronic diseases like cancer and diabetes. Its unique structure allows it to interact with specific cellular receptors, aiding in disease diagnosis and treatment.

Synonyms

2,1,3-Benzothiadiazole-4,7-diboronic Acid Bis(pinacol) Ester

IUPAC Name

4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole

Canonical SMILES

CC1(C)OB(OC1(C)C)c2ccc(B3OC(C)(C)C(C)(C)O3)c4nsnc24

InChI

InChI=1S/C18H26B2N2O4S/c1-15(2)16(3,4)24-19(23-15)11-9-10-12(14-13(11)21-27-22-14)20-25-17(5,6)18(7,8)26-20/h9-10H,1-8H3

InChI Key

DHWADSHFLSDMBJ-UHFFFAOYSA-N

Melting Point

214 °C

Flash Point

Not applicable

Purity

95%

Appearance

White to Light yellow to Light orange powder to crystal

Storage

Sealed in dry. Room temperature.

Safety Information

Precautionary Statement

P262

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

388.1799388 g/mol

Monoisotopic Mass

388.1799388 g/mol

Topological Polar Surface Area

90.9Å²

Heavy Atom Count

Formal Charge

Complexity

522

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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2,1,3-Benzothiadiazole-4,7-bis(boronic acid pinacol ester)

Product Information

Safety Information

Computed Properties

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