3-Bromopropylboronic acid, pinacol ester
Product Information
Molecular Formula
C9H18BBrO2
Molecular Weight
249.0
Description
3-Bromopropylboronic acid, pinacol ester is a potent boronic acid derivative widely used in biomedicine for the drug development of cancer and autoimmune diseases. It functions as a targeted therapy by inhibiting cellular processes involved in tumor growth and suppressing immune responses associated with autoimmune disorders. It acts by targeting specific receptors and signaling pathways, promoting apoptosis, and modulating the immune system.
Synonyms
2-(3-Bromopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-(3-bromopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)CCCBr
InChI
InChI=1S/C9H18BBrO2/c1-8(2)9(3,4)13-10(12-8)6-5-7-11/h5-7H2,1-4H3
InChI Key
CHQXFJUKMDJWHO-UHFFFAOYSA-N
Boiling Point
74-80°C/1.1 mmHg
Flash Point
Not applicable
Purity
95%
Density
1.177 g/mL at 25°C
Appearance
colorless to yellow liquid
Refractive Index
n20/D 1.4559
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
248.05832 g/mol
Monoisotopic Mass
248.05832 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
167
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
