4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid

Product Information

Molecular Formula:
C20H22BNO5
Molecular Weight:
367.2
Description
4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid is a distinctive compound employed in the biomedical field with a remarkable chemical framework. Renowned for its efficacy, this compound holds promise in the creation of remedies for diverse ailments. Be it cancer, inflammation, or neurological disorders, this versatile substance offers a valuable solution. In the realm of biomedicine research, it serves as an indispensable facilitator, empowering scientists to unfold groundbreaking therapeutic approaches.
Synonyms
4-Benzyloxy-1-Boc-indole-2-boronic acid; (4-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid; 4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid; 4-Benzyloxyindole-2-boronic acid, N-BOC protected; 4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic; [1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxyindol-2-yl]boronic acid; 1h-indole-1-carboxylic acid, 2-borono-4-(phenylmethoxy)-, 1-(1,1-dimethylethyl) ester; [4-(benzyloxy)-1-(tert-butoxycarbonyl)-1h-indol-2-yl]boronic acid; [1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxy-indol-2-yl]boronic Acid; 4-(benzyloxy)-1-(tert-butoxycarbonyl)-1h-indol-2-ylboronic acid; 4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid; [1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenylmethoxy-2-indolyl]boronic acid
IUPAC Name
[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxyindol-2-yl]boronic acid
Canonical SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC=C2OCC3=CC=CC=C3)(O)O
InChI
InChI=1S/C20H22BNO5/c1-20(2,3)27-19(23)22-16-10-7-11-17(15(16)12-18(22)21(24)25)26-13-14-8-5-4-6-9-14/h4-12,24-25H,13H2,1-3H3
InChI Key
YXJBIADEQVCONT-UHFFFAOYAW
Flash Point
Not applicable
Purity
97%

Safety Information

Hazards
H317 - H319 - H413
Precautionary Statement
P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
6
Exact Mass
367.1591030 g/mol
Monoisotopic Mass
367.1591030 g/mol
Topological Polar Surface Area
80.9Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
503
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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