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
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 |
