3-BROMO-2-(3'-BROMOBENZYLOXY)PHENYLBORO&
Product Information
Molecular Formula
C13H11BBr2O3
Molecular Weight
385.846
Description
3-BROMO-2-(3'-BROMOBENZYLOXY)PHENYLBORO& is a paradigm-shifting boronic acid derivative that renowned and pervasive across the biomedical panorama. Demonstrating exceptional enzymatic inhibition prowess, it has unveiled auspicious merits for battling an array of maladies like neoplasms and inflammatory ailments. Owing to its idiosyncratic molecular framework, this paramount entity assumes indispensability in the realms of pharmaceutical advancements and focused therapeutics exploration.
Synonyms
3-BROMO-2-(3'-BROMOBENZYLOXY)PHENYLBORO&
IUPAC Name
[3-bromo-2-[(3-bromophenyl)methoxy]phenyl]boronic acid
SMILES
B(C1=C(C(=CC=C1)Br)OCC2=CC(=CC=C2)Br)(O)O
InChI
InChI=1S/C13H11BBr2O3/c15-10-4-1-3-9(7-10)8-19-13-11(14(17)18)5-2-6-12(13)16/h1-7,17-18H,8H2
InChI Key
JWOHGYXQGYSJMX-UHFFFAOYSA-N
Melting Point
107-112 °C (lit.)
Purity
95%
Safety Information
Hazards
H413
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
385.91475 g/mol
Monoisotopic Mass
383.91680 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
281
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 |
|---|---|---|
| US-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
