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
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 |
