N-Acetyl-2-oxindole - CAS 21905-78-2
Catalog: |
BB017199 |
Product Name: |
N-Acetyl-2-oxindole |
CAS: |
21905-78-2 |
Synonyms: |
1-acetyl-3H-indol-2-one |
IUPAC Name: | 1-acetyl-3H-indol-2-one |
Description: | N-Acetyl-2-oxindole (CAS# 21905-78-2) is used in the preparation of a potent and bioavailable selective P2Y1 antagonist in the area of antithrombotics. A potential inhibitor of salicylate synthase in mycobacterium tuberculosis. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CC(=O)N1C(=O)CC2=CC=CC=C21 |
InChI: | InChI=1S/C10H9NO2/c1-7(12)11-9-5-3-2-4-8(9)6-10(11)13/h2-5H,6H2,1H3 |
InChI Key: | NRWLXCRLJQEJHE-UHFFFAOYSA-N |
Boiling Point: | 399.8 °C at 760 mmHg |
Density: | 1.275 g/cm3 |
MDL: | MFCD00187672 |
LogP: | 1.18720 |
Publication Number | Title | Priority Date |
WO-2021061053-A1 | Therapeutic compounds and methods of use thereof | 20190926 |
US-2021147441-A1 | Therapeutic compounds and methods of use thereof | 20190926 |
EP-3056202-A1 | Benzopyrrolidone derivatives possessing antiviral and anticancer properties | 20150216 |
WO-2016131789-A1 | Benzopyrrolidone derivatives possessing antiviral and anticancer properties | 20150216 |
EP-3095487-A1 | Fire extinguishing composition comprising aldoketones compound | 20140113 |
PMID | Publication Date | Title | Journal |
21053346 | 20101203 | Inhibitors of the salicylate synthase (MbtI) from Mycobacterium tuberculosis discovered by high-throughput screening | ChemMedChem |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.06332853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 37.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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