1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid neopentyl glycol ester
Product Information
Molecular Formula
C13H21BN2O3
Molecular Weight
264.1
Description
1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid neopentyl glycol ester is a valuable compound utilized in the biomedicine industry. This product has been found effective in the treatment of certain diseases, including cancer and inflammatory disorders. Its unique chemical properties make it suitable for targeted drug delivery systems, enabling precise and efficient treatment.
Synonyms
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-(oxan-2-yl)pyrazole; 1-(2-TETRAHYDROPYRANYL)-1H-PYRAZOLE-4-BORONICACIDNEOPENTYLGLYCOLESTER; 1072944-26-3; 4-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)-1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-PYRAZOLE; SCHEMBL15813615; CTK6B2291
IUPAC Name
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-(oxan-2-yl)pyrazole
SMILES
B1(OCC(CO1)(C)C)C2=CN(N=C2)C3CCCCO3
InChI
InChI=1S/C13H21BN2O3/c1-13(2)9-18-14(19-10-13)11-7-15-16(8-11)12-5-3-4-6-17-12/h7-8,12H,3-6,9-10H2,1-2H3
InChI Key
YVZAPDBXQZXBDN-UHFFFAOYSA-N
Boiling Point
424.3°C at 760 mmHg
Melting Point
88-93 °C
Purity
95%
Density
1.2g/cm3
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
264.1645227 g/mol
Monoisotopic Mass
264.1645227 g/mol
Topological Polar Surface Area
45.5Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
306
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
