[5-(cyclohexylcarbamoyl)-2-fluorophenyl]boronic acid

Product Information

Molecular Formula:
C13H17BFNO3
Molecular Weight:
265.09
Description
[5-(cyclohexylcarbamoyl)-2-fluorophenyl]boronic acid is a bioactive compound widely used in biomedical applications. Notably, it's involved in the synthesis of pharmaceutical drugs for treating cancer. It's role in targeted therapy due to its boron-functional group is crucial.
Synonyms
5-(Cyclohexylcarbamoyl)-2-fluorobenzeneboronic acid; 5-(Cyclohexylcarbmoyl)-2-fluorobenzeneboronic acid; [5-(cyclohexylcarbamoyl)-2-fluoranyl-phenyl]boronic acid; [5-[(cyclohexylamino)-oxomethyl]-2-fluorophenyl]boronic acid; [5-(cyclohexylcarbamoyl)-2-fluorophenyl]boronic acid
IUPAC Name
[5-(cyclohexylcarbamoyl)-2-fluorophenyl]boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)C(=O)NC2CCCCC2)F)(O)O
InChI
InChI=1S/C13H17BFNO3/c15-12-7-6-9(8-11(12)14(18)19)13(17)16-10-4-2-1-3-5-10/h6-8,10,18-19H,1-5H2,(H,16,17)
InChI Key
YASQSGZTGZDSLB-UHFFFAOYSA-N
Flash Point
Not applicable

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
265.1285517 g/mol
Monoisotopic Mass
265.1285517 g/mol
Topological Polar Surface Area
69.6Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
310
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
AU-2017226005-A1 Inhibitors of WDR5 protein-protein binding 2016-03-01
EP-3423437-A1 Inhibitors of wdr5 protein-protein binding 2016-03-01
JP-2019507179-A Inhibitors of WDR5 protein-protein binding 2016-03-01
US-2019119264-A1 Inhibitors of wdr5 protein-protein binding 2016-03-01
WO-2017147701-A1 Inhibitors of wdr5 protein-protein binding 2016-03-01
US-11174250-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding 2016-03-01
AU-2013305759-A1 Compounds for the treatment of paramoxyvirus viral infections 2012-08-23
AU-2013305759-A2 Compounds for the treatment of paramoxyvirus viral infections 2012-08-23
AU-2013305759-B2 Compounds for the treatment of paramoxyvirus viral infections 2012-08-23
AU-2013305759-C1 Compounds for the treatment of paramoxyvirus viral infections 2012-08-23
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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