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1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid neopentyl glycol ester

1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid neopentyl glycol ester

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Molecular Formula:

C13H21BN2O3

Molecular Weight:

264.1

CAS Number:

1072944-26-3

Catalog Number:

1072944-26-3

Product Information

Molecular Formula:

C13H21BN2O3

Molecular Weight:

264.1

Description

1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid neopentyl glycol ester is a valuable compound utilized in the biomedicine industry. This product has been found effective in the treatment of certain diseases, including cancer and inflammatory disorders. Its unique chemical properties make it suitable for targeted drug delivery systems, enabling precise and efficient treatment.

Synonyms

4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-(oxan-2-yl)pyrazole; 1-(2-TETRAHYDROPYRANYL)-1H-PYRAZOLE-4-BORONICACIDNEOPENTYLGLYCOLESTER; 1072944-26-3; 4-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)-1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-PYRAZOLE; SCHEMBL15813615; CTK6B2291

IUPAC Name

4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-(oxan-2-yl)pyrazole

Canonical SMILES

B1(OCC(CO1)(C)C)C2=CN(N=C2)C3CCCCO3

InChI

InChI=1S/C13H21BN2O3/c1-13(2)9-18-14(19-10-13)11-7-15-16(8-11)12-5-3-4-6-17-12/h7-8,12H,3-6,9-10H2,1-2H3

InChI Key

YVZAPDBXQZXBDN-UHFFFAOYSA-N

Boiling Point

424.3°C at 760 mmHg

Melting Point

88-93 °C

Purity

95%

Density

1.2g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

264.1645227 g/mol

Monoisotopic Mass

264.1645227 g/mol

Topological Polar Surface Area

45.5Å²

Heavy Atom Count

Formal Charge

Complexity

306

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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1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid neopentyl glycol ester

Product Information

Computed Properties

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