5-acylthiophene-2-boronic acid MIDA ester

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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
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
263.0965027 g/mol
Monoisotopic Mass
263.0965027 g/mol
Topological Polar Surface Area
72.9Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
476
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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