2,4,6-Trimethoxyphenylboronic acid neopentyl glycol ester
Product Information
Molecular Formula
C14H21BO5
Molecular Weight
280.12
Description
2,4,6-Trimethoxyphenylboronic acid neopentyl glycol ester is a highly specialized and complex chemical compound, playing a distinctive role within the realm of biomedical cancer research. Its intrinsic potency derives from its utilized integration into the construction of therapeutics specifically targeting malignant cell propagation, thereby impelling an acute reduction in cancerous cell proliferation.
Synonyms
2-(2,4,6-Trimethoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane
IUPAC Name
5,5-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3,2-dioxaborinane
SMILES
B1(OCC(CO1)(C)C)C2=C(C=C(C=C2OC)OC)OC
InChI
InChI=1S/C14H21BO5/c1-14(2)8-19-15(20-9-14)13-11(17-4)6-10(16-3)7-12(13)18-5/h6-7H,8-9H2,1-5H3
InChI Key
ALIYPFTURKMCNA-UHFFFAOYSA-N
Melting Point
105-109 °C
Purity
97%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
280.1482039 g/mol
Monoisotopic Mass
280.1482039 g/mol
Topological Polar Surface Area
46.2Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
288
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
