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4-(Furfurylaminocarbonyl)phenylboronic acid pinacol ester

4-(Furfurylaminocarbonyl)phenylboronic acid pinacol ester

Name: 4-(Furfurylaminocarbonyl)phenylboronic acid pinacol ester
Brand: BOC Sciences
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Molecular Formula:

C18H22BNO4

Molecular Weight:

327.2

CAS Number:

1073353-59-9

Catalog Number:

1073353-59-9

Product Information

Molecular Formula:

C18H22BNO4

Molecular Weight:

327.2

Description

4-(Furfurylaminocarbonyl)phenylboronic acid pinacol ester is a reactive intermediate for synthesizing boronic acid-based molecules targeting diseases such as cancer and diabetes. Its unique structure allows for efficient binding with specific enzymes and receptors, facilitating drug development and discovery.

Synonyms

N-(furan-2-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; 1073353-59-9; 4-(FURFURYLAMINOCARBONYL)PHENYLBORONICACIDPINACOLESTER; AMTB018; CTK8B3822; MolPort-006-715-993

IUPAC Name

N-(furan-2-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H22BNO4/c1-17(2)18(3,4)24-19(23-17)14-9-7-13(8-10-14)16(21)20-12-15-6-5-11-22-15/h5-11H,12H2,1-4H3,(H,20,21)

InChI Key

ZNYVQYJVECCENX-UHFFFAOYSA-N

Melting Point

107-113 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

327.1641883 g/mol

Monoisotopic Mass

327.1641883 g/mol

Topological Polar Surface Area

60.7Å²

Heavy Atom Count

Formal Charge

Complexity

444

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

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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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4-(Furfurylaminocarbonyl)phenylboronic acid pinacol ester

Product Information

Computed Properties

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