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9,9-Dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol) ester

9,9-Dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol) ester

Inquiry

Molecular Formula:

C3H6O2BC6H3C(C8H17)2C6H3BO2C3H6

Molecular Weight:

558.41

CAS Number:

317802-08-7

Catalog Number:

317802-08-7

Product Information

Molecular Formula:

C3H6O2BC6H3C(C8H17)2C6H3BO2C3H6

Molecular Weight:

558.41

Description

9,9-Dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol) ester is a valuable compound used in the biomedical industry. It exhibits potential in the development of drugs targeting various diseases, including cancer, diabetes, and neurodegenerative disorders. This versatile ester compound can be utilized in the synthesis of drug candidates to combat these debilitating conditions.

Synonyms

9,9-Dioctylfluorene-2,7-bis(trimethylborate)

IUPAC Name

2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane

Canonical SMILES

CCCCCCCCC1(CCCCCCCC)c2cc(ccc2-c3ccc(cc13)B4OCCCO4)B5OCCCO5

InChI

InChI=1S/C35H52B2O4/c1-3-5-7-9-11-13-21-35(22-14-12-10-8-6-4-2)33-27-29(36-38-23-15-24-39-36)17-19-31(33)32-20-18-30(28-34(32)35)37-40-25-16-26-41-37/h17-20,27-28H,3-16,21-26H2,1-2H3

InChI Key

KAYXDWIILRESPY-UHFFFAOYSA-N

Melting Point

126-130 °C (lit.)

Flash Point

Not applicable

Purity

97%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

558.4051705 g/mol

Monoisotopic Mass

558.4051705 g/mol

Topological Polar Surface Area

36.9Å²

Heavy Atom Count

Formal Charge

Complexity

665

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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9,9-Dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol) ester

Product Information

Computed Properties

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