Coumaran - CAS 496-16-2

Catalog:	BB026756
Product Name:	Coumaran
CAS:	496-16-2
Synonyms:	2,3-Dihydrobenzofuran; Benzofuran, 2,3-dihydro-; Kumaran; Dihydrocoumarone

Technical Data

Patents

Literatures

Computed Properties

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

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Related Functional Groups

Benzofuran/Benzothiophene

[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
[4506-71-2]
Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[76981-71-0]
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[34761-09-6]
Ethyl 3-aminobenzo[b]thiophene-2-carboxylate
[7311-95-7]
Ethyl-2-amino-benzo(b)thiophene-3-carboxylate
[33118-85-3]
5-Bromo-3-methylbenzofuran

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