5-Bromo-N-(butoxycarbonyl)indole-2-boronic acid
Product Information
Molecular Formula
C13H15BBrNO4
Molecular Weight
339.98
Description
5-Bromo-N-(butoxycarbonyl)indole-2-boronic acid is a remarkable biomedicine and exhibits remarkable efficacy in combating diverse diseases. Its extraordinary anti-cancer attributes enable it to selectively target malignant cells, undermining their proliferation. By impeding vital cellular pathways, it induces vulnerability in cancerous cells. Due to its precision targeting mechanism, it holds immense promise as an exclusive therapy against specific malignancies.
Synonyms
1-(tert-Butoxycarbonyl-5-bromo-1H-indol-2-yl)boronic acid
IUPAC Name
[5-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)Br)(O)O
InChI
InChI=1S/C13H15BBrNO4/c1-13(2,3)20-12(17)16-10-5-4-9(15)6-8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI Key
RBYTXZMVOGZESQ-UHFFFAOYAW
Melting Point
130 °C (dec.) (lit.)
Flash Point
Not applicable
Purity
95+%
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
339.02775 g/mol
Monoisotopic Mass
339.02775 g/mol
Topological Polar Surface Area
71.7Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
374
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
