3-Acetyl-7-azaindole - CAS 83393-46-8
Catalog: |
BB037023 |
Product Name: |
3-Acetyl-7-azaindole |
CAS: |
83393-46-8 |
Synonyms: |
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone |
IUPAC Name: | 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone |
Description: | 3-Acetyl-7-azaindole (CAS# 83393-46-8) is an intermediate used in the preparation of vemurafenib, a kinase inhibitor for the treatment of BRAF-mutated melanoma and in other clinical studies. |
Molecular Weight: | 160.17 |
Molecular Formula: | C9H8N2O |
Canonical SMILES: | CC(=O)C1=CNC2=C1C=CC=N2 |
InChI: | InChI=1S/C9H8N2O/c1-6(12)8-5-11-9-7(8)3-2-4-10-9/h2-5H,1H3,(H,10,11) |
InChI Key: | OGMZQWPOZWMDQS-UHFFFAOYSA-N |
Purity: | > 95 % |
Density: | 1.265 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09743457 |
LogP: | 1.76550 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112225655-A | Preparation method of citral | 20200910 |
WO-2021064141-A1 | Inhibitors of dual specificity tyrosine phosphorylation regulated kinase 1b | 20191002 |
US-2020095232-A1 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
US-10815222-B2 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
BR-112019010629-A2 | compound, agent and method for controlling a pest, use of the compound, and, composition. | 20161128 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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