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trans-3-Phenyl-1-propen-1-ylboronic acid MIDA ester

trans-3-Phenyl-1-propen-1-ylboronic acid MIDA ester

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Molecular Formula:

C14H16BNO4

Molecular Weight:

273.09

Product Information

Molecular Formula:

C14H16BNO4

Molecular Weight:

273.09

Description

trans-3-Phenyl-1-propen-1-ylboronic acid MIDA ester is a key reagent in biomedicine used for drug discovery and development. This product is utilized in the synthesis of boronic acid derivatives, which have shown potential in treating various diseases such as cancer and inflammatory conditions. It plays a crucial role in constructing drug-like molecules for targeted therapy, making it an invaluable tool in the biomedical industry.

Synonyms

trans-3-Phenyl-1-propen-1-ylboronic acid MIDA ester; trans-3-Phenyl-1-propen-1-ylboronic acid MIDA ester

IUPAC Name

6-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C=CCC2=CC=CC=C2

InChI

InChI=1S/C14H16BNO4/c1-16-10-13(17)19-15(20-14(18)11-16)9-5-8-12-6-3-2-4-7-12/h2-7,9H,8,10-11H2,1H3/b9-5+

InChI Key

PLRDFTXFIKIUAQ-WEVVVXLNSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

273.1172382 g/mol

Monoisotopic Mass

273.1172382 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

359

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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trans-3-Phenyl-1-propen-1-ylboronic acid MIDA ester

Product Information

Computed Properties

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