Isatin - CAS 91-56-5
Catalog: |
BB040240 |
Product Name: |
Isatin |
CAS: |
91-56-5 |
Synonyms: |
1H-indole-2,3-dione |
IUPAC Name: | 1H-indole-2,3-dione |
Description: | Isatin is an indole derivative used as an intermediate. It also acts as an endogenous MAO inhibitor with an IC50 value of 15 μM. |
Molecular Weight: | 147.13 |
Molecular Formula: | C8H5NO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)C(=O)N2 |
InChI: | InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) |
InChI Key: | JXDYKVIHCLTXOP-UHFFFAOYSA-N |
Boiling Point: | 360.3 °C at 760 mmHg |
Melting Point: | 193-195 °C |
Density: | 1.367 g/cm3 |
Solubility: | 1.527e+004 mg/L at 25 °C (est) |
Appearance: | Orange-red powder or crystals |
Storage: | Store at RT. |
MDL: | MFCD00005718 |
LogP: | 0.95940 |
Vapor Pressure: | 0.0000111 [mmHg] |
GHS Hazard Statement: | H302 (60%): 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 |
US-10981868-B1 | Single step regioselective cyclization and chlorination of hydroxyamino-N-(2-methylphenyl)acetamide to 5-chloro-7-methylindoline-2,3-dione | 20200812 |
WO-2021123061-A1 | Process for preparing a composition for dyeing the hair starting from a composition in powder form and an aqueous composition | 20191220 |
WO-2021123325-A1 | Composition comprising a natural dye, a dispersant, an oil and a fatty-phase thickener | 20191220 |
WO-2021123329-A1 | Hair dyeing composition comprising a direct dye, a scleroglucan gum and a non-ionic associative polymer | 20191220 |
WO-2021123345-A1 | Process for colouring keratin materials using a particular oily dispersion and at least two amine compounds that are different from each other | 20191220 |
PMID | Publication Date | Title | Journal |
30992202 | 20190615 | Benzofuran-isatin hybrids tethered via different length alkyl linkers and their in vitro anti-mycobacterial activities | Bioorganic & medicinal chemistry |
30926317 | 20190525 | Rabbit dehydrogenase/reductase SDR family member 11 (DHRS11): Its identity with acetohexamide reductase with broad substrate specificity and inhibitor sensitivity, different from human DHRS11 | Chemico-biological interactions |
30690301 | 20190301 | Benzofuran-isatin-imine hybrids tethered via different length alkyl linkers: Design, synthesis and in\xa0vitro evaluation of anti-tubercular and anti-bacterial activities as well as cytotoxicity | European journal of medicinal chemistry |
30296686 | 20181105 | Design, synthesis and anti-mycobacterial activity evaluation of benzofuran-isatin hybrids | European journal of medicinal chemistry |
24341638 | 20140501 | 7-chloroquinoline-isatin conjugates: antimalarial, antitubercular, and cytotoxic evaluation | Chemical biology & drug design |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.032028402 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.032028402 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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