4-(Methylsulfonamido)phenylboronic Acid - CAS 380430-57-9
Catalog: |
BB023511 |
Product Name: |
4-(Methylsulfonamido)phenylboronic Acid |
CAS: |
380430-57-9 |
Synonyms: |
[4-(methanesulfonamido)phenyl]boronic acid; [4-(methanesulfonamido)phenyl]boronic acid |
IUPAC Name: | [4-(methanesulfonamido)phenyl]boronic acid |
Description: | Reactant for preparation of: Potent and selective inhibitors of IKK-β; Inhibitors for treatment of osteoporosis; Inhibitors of human farnesyl pyrophosphate synthase; Suzuki-type Pd(0) coupling reactions in the synthesis of 2-arylpurines as Cdk inhibitors. |
Molecular Weight: | 215.03 |
Molecular Formula: | C7H10NO4SB |
Canonical SMILES: | B(C1=CC=C(C=C1)NS(=O)(=O)C)(O)O |
InChI: | InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9-11H,1H3 |
InChI Key: | NDVJJEADFLTFCD-UHFFFAOYSA-N |
Boiling Point: | 421.8 °C at 760 mmHg |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.42 g/cm3 |
Solubility: | Water : Insoluble |
Appearance: | Solid |
MDL: | MFCD02179473 |
LogP: | -0.10830 |
GHS Hazard Statement: | H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
WO-2021074281-A1 | Substituted azacyles as trmp8 modulators | 20191017 |
WO-2020168143-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
TW-202024077-A | Imidazopyridinone compound | 20180913 |
CA-3106385-A1 | Imidazopyridinone compound | 20180913 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.0423591 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.0423591 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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