5-acylthiophene-2-boronic acid MIDA ester

Inquiry

Molecular Formula:

C11H12BNO5S

Molecular Weight:

281.09

Product Information

Molecular Formula:

C11H12BNO5S

Molecular Weight:

281.09

Description

5-acylthiophene-2-boronic acid MIDA ester is a versatile compound used in biomedicine for its potential therapeutic effects against various diseases. The MIDA ester form enhances stability and enables efficient drug delivery to target sites. This product holds promise in treating diseases such as cancer, inflammation, and microbial infections through its unique molecular properties.

IUPAC Name

2-(4-acetylcyclopenta-1,3-dien-1-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

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

InChI

InChI=1S/C12H14BNO5/c1-8(15)9-3-4-10(5-9)13-18-11(16)6-14(2)7-12(17)19-13/h3-4H,5-7H2,1-2H3

InChI Key

RJFYIWQMEQXYQD-UHFFFAOYSA-N

Melting Point

221 °C

Flash Point

Not applicable

Purity

97%

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

263.0965027 g/mol

Monoisotopic Mass

263.0965027 g/mol

Topological Polar Surface Area

72.9Å²

Heavy Atom Count

Formal Charge

Complexity

476

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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5-acylthiophene-2-boronic acid MIDA ester

Product Information

Computed Properties

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