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1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 97%

1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 97%

Inquiry

Molecular Formula:

C20H22BNO4S

Molecular Weight:

383.27

CAS Number:

870717-93-4

Catalog Number:

870717-93-4

Product Information

Molecular Formula:

C20H22BNO4S

Molecular Weight:

383.27

Description

1-(Phenylsulfonyl)-3-indolylboronic acid pinacol ester can be used:• In one or two key synthetic steps for the preparation of a key intermediate of lycogarubin C.• To prepare 3-(4,5-dibromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-2-yl)-1-(phenylsulfonyl)-1H-indole, a key intermediate for the synthesis of tubulin inhibitor VERU-111 analogs.

Synonyms

1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 97%

IUPAC Name

1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H22BNO4S/c1-19(2)20(3,4)26-21(25-19)17-14-22(18-13-9-8-12-16(17)18)27(23,24)15-10-6-5-7-11-15/h5-14H,1-4H3

InChI Key

OMZLHWZHHPAZPW-UHFFFAOYSA-N

Boiling Point

556.4°C at 760 mmHg

Melting Point

120-125°C

Flash Point

Not applicable

Purity

95%

Density

1.21g/cm3

Appearance

White to off-white to beige to light orange to tan powder, crystals, crystalline powder, and/or chunks

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

383.1362595 g/mol

Monoisotopic Mass

383.1362595 g/mol

Topological Polar Surface Area

65.9Å²

Heavy Atom Count

Formal Charge

Complexity

637

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-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 97%

Product Information

Computed Properties

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