1,5,6,7-Tetrahydro-4H-indol-4-one - CAS 13754-86-4
Catalog: |
BB008623 |
Product Name: |
1,5,6,7-Tetrahydro-4H-indol-4-one |
CAS: |
13754-86-4 |
Synonyms: |
1,5,6,7-tetrahydroindol-4-one |
IUPAC Name: | 1,5,6,7-tetrahydroindol-4-one |
Description: | 1,5,6,7-Tetrahydro-4H-indol-4-one (CAS# 13754-86-4) is a versatile building block used for the synthesis of more complex pharmaceutical compounds. It can be used for the preparation of Psammopemmin A. |
Molecular Weight: | 135.16 |
Molecular Formula: | C8H9NO |
Canonical SMILES: | C1CC2=C(C=CN2)C(=O)C1 |
InChI: | InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2 |
InChI Key: | KASJZXHXXNEULX-UHFFFAOYSA-N |
Boiling Point: | 310.6 °C at 760 mmHg |
Density: | 1.216 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
MDL: | MFCD00075438 |
LogP: | 1.53370 |
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 |
CN-110804035-A | Tetrahydrobenzofuran Mannich alkali compounds, and preparation method and application thereof | 20191111 |
WO-2021065980-A1 | Bet degrader | 20190930 |
WO-2021002473-A1 | Nrf2-activating compound | 20190703 |
WO-2019189778-A1 | Compound with anticancer activity | 20180330 |
AU-2019242518-A1 | Compound with anticancer activity | 20180330 |
PMID | Publication Date | Title | Journal |
21673910 | 20110101 | Combined 3D-QSAR modeling and molecular docking studies on pyrrole-indolin-2-ones as Aurora A kinase inhibitors | International journal of molecular sciences |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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