Coumaran - CAS 496-16-2
Catalog: |
BB026756 |
Product Name: |
Coumaran |
CAS: |
496-16-2 |
Synonyms: |
2,3-Dihydrobenzofuran; Benzofuran, 2,3-dihydro-; Kumaran; Dihydrocoumarone |
IUPAC Name: | 2,3-dihydro-1-benzofuran |
Description: | Coumaran is a natural product found in Trigonella foenum-graecum, Xylaria, and other organisms with data available. Coumaran is an acetylcholinesterase (AChE) inhibitor isolated from leaves of L. camara. |
Molecular Weight: | 120.15 |
Molecular Formula: | C8H8O |
Canonical SMILES: | C1COC2=CC=CC=C21 |
InChI: | InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2 |
InChI Key: | HBEDSQVIWPRPAY-UHFFFAOYSA-N |
Boiling Point: | 188-189 °C (lit.) |
Melting Point: | -21°C |
Density: | 1.065 g/cm3 |
Solubility: | 1491 mg/L at 25 °C (est) |
Appearance: | Liquid |
MDL: | MFCD00005855 |
LogP: | 1.62150 |
Publication Number | Title | Priority Date |
US-10874687-B1 | Highly active compounds against COVID-19 | 20200227 |
US-2021190790-A1 | Methods for quantitating extra-cellular vesicle surface markers, and compositions for practicing the same | 20191220 |
WO-2021127364-A1 | Methods for quantitating extra-cellular vesicle surface markers, and compositions for practicing the same | 20191220 |
WO-2021127561-A1 | Isoindolinone and indazole compounds for the degradation of egfr | 20191220 |
WO-2021127337-A1 | Trpml modulators | 20191219 |
PMID | Publication Date | Title | Journal |
34260229 | 20210812 | Optimization of a Series of 2,3-Dihydrobenzofurans as Highly Potent, Second Bromodomain (BD2)-Selective, Bromo and Extra-Terminal Domain (BET) Inhibitors | Journal of medicinal chemistry |
27726356 | 20161110 | Design and Discovery of Functionally Selective Serotonin 2C (5-HT2C) Receptor Agonists | Journal of medicinal chemistry |
23994084 | 20131201 | New inhibitors of nitric oxide production from the seeds of Myristica fragrans | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
23061656 | 20121102 | One-pot synthesis of chiral dihydrobenzofuran framework via Rh/Pd catalysis | Organic letters |
22986987 | 20121101 | Isolation and characterization of degradation products of moxidectin using LC, LTQ FT-MS, H/D exchange and NMR | Analytical and bioanalytical chemistry |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.057514874 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.057514874 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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