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1-(Benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

1-(Benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

Inquiry

Molecular Formula:

C19H21BN2O4S

Molecular Weight:

384.262

CAS Number:

886547-94-0

Catalog Number:

886547-94-0

Product Information

Molecular Formula:

C19H21BN2O4S

Molecular Weight:

384.262

Description

1-(Benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine, an intricate organic molecule, is primarily deployed in specialized domains of medicinal research. It helps the synthesis of kinase inhibitors and thus promotes the research on the resistance of malignant tumors.

Synonyms

1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 1H-pyrrolo[2,3-b]pyridine

IUPAC Name

1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC=N3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H21BN2O4S/c1-18(2)19(3,4)26-20(25-18)16-13-22(17-15(16)11-8-12-21-17)27(23,24)14-9-6-5-7-10-14/h5-13H,1-4H3

InChI Key

KZANVIJXSQABKR-UHFFFAOYSA-N

Melting Point

355-360 °C

Flash Point

Not applicable

Purity

97.0%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

384.1315085 g/mol

Monoisotopic Mass

384.1315085 g/mol

Topological Polar Surface Area

78.8Å²

Heavy Atom Count

Formal Charge

Complexity

641

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-(Benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

Product Information

Computed Properties

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