5-Hydroxy-2-methylbenzamide - CAS 1243287-58-2
Catalog: |
BB061011 |
Product Name: |
5-Hydroxy-2-methylbenzamide |
CAS: |
1243287-58-2 |
Synonyms: |
5-HYDROXY-2-METHYLBENZAMIDE |
IUPAC Name: | 5-hydroxy-2-methylbenzamide |
Description: | 5-hydroxy-2-methylbenzamide is a reagent used in the structure-activity relationship study of novel benzamide derivatives with potential antipsychotics properties. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CC1=C(C=C(C=C1)O)C(=O)N |
InChI: | InChI=1S/C8H9NO2/c1-5-2-3-6(10)4-7(5)8(9)11/h2-4,10H,1H3,(H2,9,11) |
InChI Key: | SQJRKCQZWDFHNB-UHFFFAOYSA-N |
References: | Xu, M., et al. Archiv der Pharmazie, 352 (2019). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020092621-A1 | Substituted 6-azabenzimidazole compounds as hpk1 inhibitors | 20181031 |
US-2021115037-A1 | Substituted 6-azabenzimidazole compounds | 20181031 |
AU-2019372046-A1 | Substituted 6-azabenzimidazole compounds as HPK1 inhibitors | 20181031 |
BR-112021008255-A2 | substituted 6-azabenzimidazole compounds as hpk1 inhibitors | 20181031 |
CN-113227089-A | Substituted 6-azabenzimidazole compounds as HPK1 inhibitors | 20181031 |
EP-3873903-A1 | Substituted 6-azabenzimidazole compounds as hpk1 inhibitors | 20181031 |
KR-20210086685-A | Substituted 6-azabenzimidazole compounds as HPK1 inhibitors | 20181031 |
JP-2022509533-A | Substitution 6-azabenzoimidazole compound as an HPK1 inhibitor | 20181031 |
US-11203591-B2 | Substituted 6-azabenzimidazole compounds | 20181031 |
WO-2006047528-A2 | Pyrazolobenzamides and derivatives as factor xa inhibitors | 20041026 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.06332853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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