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3-(Tetrahydrofurfurylaminocarbonyl)phenylboronic acid pinacol ester

3-(Tetrahydrofurfurylaminocarbonyl)phenylboronic acid pinacol ester

Inquiry

Molecular Formula:

C18H26BNO4

Molecular Weight:

331.21

Product Information

Molecular Formula:

C18H26BNO4

Molecular Weight:

331.21

Description

Leveraging its boronic acid derivative nature, 3-(Tetrahydrofurfurylaminocarbonyl)phenylboronic acid pinacol ester selectively engages disease-associated proteins and pivotal enzymes, presenting unparalleled multitarget potential against formidable adversaries like cancer, diabetes, and inflammatory maladies.

Synonyms

N-((Tetrahydrofuran-2-yl)methyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; N-(oxolan-2-ylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; 3-(Tetrahydrofurfurylaminocarbonyl)benzeneboronic acid pinacol ester; {3-[(Tetrahydrofuran-2-ylmethyl)carbamoyl]phenyl}boronic acid pinacol ester; [3-(Tetrahydrofurfurylamino-1-carbonyl)-phenyl]boronic acid pinacol ester; 3-(Tetrahydrofurfurylaminocarbonyl)phenylboronic acid pinacol ester; N-[(oxolan-2-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; N-[(Tetrahydro-2-furanyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

IUPAC Name

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

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)NCC3CCCO3

InChI

InChI=1S/C18H26BNO4/c1-17(2)18(3,4)24-19(23-17)14-8-5-7-13(11-14)16(21)20-12-15-9-6-10-22-15/h5,7-8,11,15H,6,9-10,12H2,1-4H3,(H,20,21)

InChI Key

KHXJYLFLGVPADA-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

331.1954885 g/mol

Monoisotopic Mass

331.1954885 g/mol

Topological Polar Surface Area

56.8Å²

Heavy Atom Count

Formal Charge

Complexity

452

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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3-(Tetrahydrofurfurylaminocarbonyl)phenylboronic acid pinacol ester

Product Information

Computed Properties

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