4-(Ethylsulfonyl)phenylboronic Acid - CAS 352530-24-6
Catalog: |
BB022566 |
Product Name: |
4-(Ethylsulfonyl)phenylboronic Acid |
CAS: |
352530-24-6 |
Synonyms: |
(4-ethylsulfonylphenyl)boronic acid; (4-ethylsulfonylphenyl)boronic acid |
IUPAC Name: | (4-ethylsulfonylphenyl)boronic acid |
Description: | 4-(Ethylsulfonyl)phenylboronic Acid (CAS# 352530-24-6) is used in the discovery of small molecular RIP1 kinase inhibitors for the treatment of pathologies associated with necroptosis. |
Molecular Weight: | 214.05 |
Molecular Formula: | C8H11O4SB |
Canonical SMILES: | B(C1=CC=C(C=C1)S(=O)(=O)CC)(O)O |
InChI: | InChI=1S/C8H11BO4S/c1-2-14(12,13)8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3 |
InChI Key: | CVBNDDGEVPNUNA-UHFFFAOYSA-N |
Boiling Point: | 447.1 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02093076 |
LogP: | 0.24080 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021063362-A1 | Sulfo-substituted biaryl compound or salt thereof, preparation method therefor, and use thereof | 20190930 |
CN-112851557-A | Sulfo-substituted biaryl compound or salt thereof, and preparation method and application thereof | 20190930 |
WO-2021019051-A1 | Inhibitors of human atgl | 20190730 |
CN-111886233-A | Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same | 20180321 |
JP-2021518384-A | A novel triazolone derivative or a salt thereof, and a pharmaceutical composition containing these. | 20180321 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.0471102 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.0471102 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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