3-BROMO-2-(3'-BROMOBENZYLOXY)PHENYLBORO&

Inquiry

Molecular Formula:

C13H11BBr2O3

Molecular Weight:

385.846

CAS Number:

849062-27-7

Catalog Number:

849062-27-7

Product Information

Molecular Formula:

C13H11BBr2O3

Molecular Weight:

385.846

Description

3-BROMO-2-(3'-BROMOBENZYLOXY)PHENYLBORO& is a paradigm-shifting boronic acid derivative that renowned and pervasive across the biomedical panorama. Demonstrating exceptional enzymatic inhibition prowess, it has unveiled auspicious merits for battling an array of maladies like neoplasms and inflammatory ailments. Owing to its idiosyncratic molecular framework, this paramount entity assumes indispensability in the realms of pharmaceutical advancements and focused therapeutics exploration.

Synonyms

3-BROMO-2-(3'-BROMOBENZYLOXY)PHENYLBORO&

IUPAC Name

[3-bromo-2-[(3-bromophenyl)methoxy]phenyl]boronic acid

Canonical SMILES

B(C1=C(C(=CC=C1)Br)OCC2=CC(=CC=C2)Br)(O)O

InChI

InChI=1S/C13H11BBr2O3/c15-10-4-1-3-9(7-10)8-19-13-11(14(17)18)5-2-6-12(13)16/h1-7,17-18H,8H2

InChI Key

JWOHGYXQGYSJMX-UHFFFAOYSA-N

Melting Point

107-112 °C (lit.)

Purity

95%

Safety Information

Hazards

H413

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

385.91475 g/mol

Monoisotopic Mass

383.91680 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

281

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

Patents

Publication Number	Title	Priority Date
US-2012149693-A1	Therapeutic compounds	2009-05-05
US-2015315127-A1	Therapeutic compounds	2009-05-05
US-9024071-B2	Therapeutic compounds	2009-05-05

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

3-BROMO-2-(3'-BROMOBENZYLOXY)PHENYLBORO&

Product Information

Safety Information

Computed Properties

Patents

Related Products