3-(4-Methylphenylsulfonamido)phenylboronic Acid Pinacol Ester

Product Information

Molecular Formula:
C19H24NO4SB
Molecular Weight:
373.27
Description
3-(4-Methylphenylsulfonamido)phenylboronic Acid Pinacol Ester (CAS# 796061-08-0 ) is a useful research chemical.
Synonyms
4-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide; 4-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
IUPAC Name
4-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H24BNO4S/c1-14-9-11-17(12-10-14)26(22,23)21-16-8-6-7-15(13-16)20-24-18(2,3)19(4,5)25-20/h6-13,21H,1-5H3
InChI Key
RGAZOXRZFCGICF-UHFFFAOYSA-N
Boiling Point
509.024 °C at 760 mmHg
Flash Point
Not applicable
Purity
97 %
Density
1.216 g/cm3
Appearance
White to pink powder or crystals
LogP
4.24880

Safety Information

Hazards
H302 - H413
Precautionary Statement
P264, P270, P273, P301+P312, P330, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
373.1519096 g/mol
Monoisotopic Mass
373.1519096 g/mol
Topological Polar Surface Area
73Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
577
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
JP-2018507234-A SREBP blocker for use in treating liver fibrosis, elevated cholesterol and insulin resistance 2015-03-04
US-10183015-B2 Heterocyclic compounds and methods of use 2015-03-04
US-2018028518-A1 Heterocyclic Compounds and Methods of Use 2015-03-04
AU-2014312245-A1 Heterocyclic compounds and methods of use 2013-08-28
DK-3038622-T3 HETEROCYCLIC RELATIONS AND PROCEDURES FOR USE 2013-08-28
EP-3038622-B1 Heterocyclic compounds and methods of use 2013-08-28
JP-2017506618-A Heterocyclic compounds and methods of use 2013-08-28
JP-2019089854-A Heterocyclic compounds and methods of use 2013-08-28
US-2015065519-A1 Heterocyclic compounds and methods of use 2013-08-28
US-9670172-B2 Heterocyclic compounds and methods of use 2013-08-28
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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