4-(Furfurylaminocarbonyl)phenylboronic acid pinacol ester

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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
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
327.1641883 g/mol
Monoisotopic Mass
327.1641883 g/mol
Topological Polar Surface Area
60.7Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
444
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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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