4-Cyclohexylbenzeneboronic acid

Product Information

Molecular Formula:
C12H17BO2
Molecular Weight:
204.07
Description
4-Cyclohexylbenzeneboronic acid is a valuable reagent widely used in the biomedical industry. It plays a crucial role in organic synthesis, particularly in the development of pharmaceutical drugs. This compound exhibits promising potential for the treatment of various diseases, including cancer, diabetes, and inflammatory disorders. Its unique structure and properties make it a valuable tool for drug discovery and development in the realm of biomedicine.
Synonyms
4-cyclohexylphenyl)boronic Acid; 4-Cyclohexylbenzeneboronic acid; BORONIC ACID, (4-CYCLOHEXYLPHENYL)-; 4-cyclohexylphenylboronicacid; 4-cyclohexyl-phenylboronic acid; 4-cyclohexyl phenyl-boronic acid; 4-cyclohexyl-phenyl boronic acid; 4-cyclohexyl-benzene boronic acid; 4-Cyclohexylbenzeneboronic acid; 4-Cyclohexylbenzeneboronic acid; 4-CYCLOHEXYLPHENYLBORONIC ACID
IUPAC Name
(4-cyclohexylphenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)C2CCCCC2)(O)O
InChI
InChI=1S/C12H17BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,14-15H,1-5H2
InChI Key
KNQVRFYNQWNYPU-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H318
Precautionary Statement
P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
204.1321599 g/mol
Monoisotopic Mass
204.1321599 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
182
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
CN-112961140-A Naphthoquinone heterocyclic compound and application thereof 2021-02-08
CN-112778312-A Organic material containing indoloquinazolinedione heterocyclic structure and application thereof 2020-12-28
CN-112592308-A Novel organic compound and application thereof in OLED device 2020-12-17
CN-111875618-A Compound with multi-heterocyclic structure and application thereof 2020-07-31
US-2020234798-A1 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning 2019-01-17
WO-2020030925-A1 Heterocyclic substituted ureas, for use against cancer 2018-08-10
CN-108774122-B Method for synthesizing diaryl ketone compound by carbonylation taking chloroform as carbonyl source without participation of transition metal 2018-08-10
JP-2021525717-A Therapeutic compounds 2018-05-31
TW-201938526-A Light-emitting elements, display devices, electronic devices, organic compounds, and lighting devices 2018-03-07
CN-108148048-B Compound with aza-benzene as core and application thereof in organic electroluminescent device 2016-12-06
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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