3-(N-Cyclopropylsulfamoyl)phenylboronic Acid - CAS 913835-28-6
Catalog: |
BB040140 |
Product Name: |
3-(N-Cyclopropylsulfamoyl)phenylboronic Acid |
CAS: |
913835-28-6 |
Synonyms: |
[3-(cyclopropylsulfamoyl)phenyl]boronic acid; [3-(cyclopropylsulfamoyl)phenyl]boronic acid |
IUPAC Name: | [3-(cyclopropylsulfamoyl)phenyl]boronic acid |
Description: | 3-(N-Cyclopropylsulfamoyl)phenylboronic Acid (CAS# 913835-28-6) is a useful research chemical. |
Molecular Weight: | 241.07 |
Molecular Formula: | C9H12NO4SB |
Canonical SMILES: | B(C1=CC(=CC=C1)S(=O)(=O)NC2CC2)(O)O |
InChI: | InChI=1S/C9H12BNO4S/c12-10(13)7-2-1-3-9(6-7)16(14,15)11-8-4-5-8/h1-3,6,8,11-13H,4-5H2 |
InChI Key: | WIZSPBQIRRAOMO-UHFFFAOYSA-N |
Boiling Point: | 484.4 °C at 760 mmHg |
Density: | 1.45 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08436035 |
LogP: | 0.27880 |
Publication Number | Title | Priority Date |
WO-2020215037-A1 | Combination with checkpoint inhibitors to treat cancer | 20190418 |
AU-2016367147-A1 | Compounds and methods for kinase modulation, and indications therefor | 20151207 |
CA-3007462-A1 | Compounds and methods for kinase modulation, and indications therefor | 20151207 |
EP-3386980-A1 | Compounds and methods for kinase modulation, and indications therefor | 20151207 |
JP-2018537533-A | Compounds and methods for kinase regulation and instructions therefor | 20151207 |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.0580092 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.0580092 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 95 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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