5-bromobenzo[b]thiophene-2-boronic acid

Inquiry

Molecular Formula:

C8H6BBrO2S

Molecular Weight:

256.91

Product Information

Molecular Formula:

C8H6BBrO2S

Molecular Weight:

256.91

Description

5-bromobenzo[b]thiophene-2-boronic acid is a valuable compound utilized in the biomedical industry for its potential in drug discovery and development. With its boronic acid functionality, it can serve as a key building block for the synthesis of novel pharmaceutical agents targeting various diseases. Through its unique chemical structure, the compound has shown promising drug development effects in a variety of diseases, including cancer, inflammation, and infectious diseases.

Synonyms

(5-Bromobenzo[b]thiophen-2-yl)boronic acid; (5-bromo-1-benzothiophen-2-yl)boronic acid; (5-Bromobenzo[b]thiophen-2-yl)boronicacid; 5-bromobenzeno[B]thiophene-2-boronic acid; (5-Bromobenzo[b]thiophene-2-yl)boronic acid; (5-bromanyl-1-benzothiophen-2-yl)boronic acid; A842574; pinacol 5-bromomethylbenzo[b]thiophen-2-ylboronate; 5-bromobenzo[b]thiophene-2-boronic acid

IUPAC Name

(5-bromo-1-benzothiophen-2-yl)boronic acid

Canonical SMILES

B(C1=CC2=C(S1)C=CC(=C2)Br)(O)O

InChI

InChI=1S/C8H6BBrO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H

InChI Key

RUQKSUMPFAJLNQ-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

255.93649 g/mol

Monoisotopic Mass

255.93649 g/mol

Topological Polar Surface Area

68.7Å²

Heavy Atom Count

Formal Charge

Complexity

193

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
WO-2022015624-A1	Substituted dihydropyrazinediones as modulators of the nmda receptor	2020-07-16
WO-2021008512-A1	Compound as nmt inhibitor and use thereof	2019-07-18
CN-114174283-A	Compounds as NMT inhibitors and uses thereof	2019-07-18
CN-108929234-B	Aromatic amine derivative and organic electroluminescent device thereof	2018-07-05
AU-2015269053-A1	Polynucleotide constructs having bioreversible and non-bioreversible groups	2014-06-06
CA-2950960-A1	Polynucleotide constructs having bioreversible and non-bioreversible groups	2014-06-06
EP-3152308-A2	Polynucleotide constructs having bioreversible and non-bioreversible groups	2014-06-06
JP-2017522046-A	Polynucleotide constructs having bioreversible and bioreversible groups	2014-06-06
US-2017114341-A1	Polynucleotide constructs having bioreversible and non-bioreversible groups	2014-06-06
WO-2015188197-A2	Polynucleotide constructs having bioreversible and non-bioreversible groups	2014-06-06

Literatures

PMID	Publication Date	Title	Journal
17956081	2007-11-15	Optimizing cell permeation of an antibiotic resistance inhibitor for improved efficacy	Journal of medicinal chemistry

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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