3-BUTOXYBENZENEBORONIC ACID

Product Information

Molecular Formula:
C10H15BO3
Molecular Weight:
194.04
Description
3-BUTOXYBENZENEBORONIC ACID is a biochemical compound widely used in the biomedical industry. It acts as a crucial reagent in the synthesis of pharmaceutical drugs targeting various diseases, including cancer and inflammatory disorders. With its boronic acid functional group, it facilitates the development of innovative therapies and research in biomedicine.
Synonyms
3-BUTOXYBENZENEBORONIC ACID; 3-BUTOXYPHENYLBORONIC ACID; AKOS BRN-0942; Boronic acid, (3-butoxyphenyl)- (9CI)
IUPAC Name
(3-butoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)OCCCC)(O)O
InChI
InChI=1S/C10H15BO3/c1-2-3-7-14-10-6-4-5-9(8-10)11(12)13/h4-6,8,12-13H,2-3,7H2,1H3
InChI Key
ZTRKYYYDXARQRD-UHFFFAOYSA-N
Melting Point
89-93 °C (lit.)
Purity
97%

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
194.1114245 g/mol
Monoisotopic Mass
194.1114245 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
152
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

Patents

Publication Number Title Priority Date
WO-2021134042-A1 Methods and compositions for inhibition of dihydroorotate dehydrogenase 2019-12-26
WO-2021079273-A1 Compositions comprising a dhodh inhibitor for the treatment of acute myeloid leukemia 2019-10-21
CN-109206614-B Reagent for detecting sugar chain-containing biomolecule and preparation method and application thereof 2017-07-05
JP-2016179968-A Monosubstituted (fluoroalkyl) ethylenes and process for producing the same 2015-03-25
JP-6578116-B2 Monosubstituted (fluoroalkyl) ethylenes and process for producing the same 2015-03-25
US-2012245124-A1 TRPV3 Modulators 2011-03-24
US-9012651-B2 TRPV3 modulators 2011-03-24
WO-2012129491-A1 Trpv3 modulators 2011-03-24
JP-2012102073-A (Trifluorovinyl) benzenes and process for producing the same 2010-09-17
JP-5833392-B2 (Trifluorovinyl) benzenes and process for producing the same 2010-09-17
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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