5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-methanol - CAS 946426-89-7

Name: 5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-methanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041440
Product Name:	5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-methanol
CAS:	946426-89-7
Synonyms:	[5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl]methanol; [5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methanol

Technical Data

IUPAC Name:	[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methanol
Description:	5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-methanol (CAS# 946426-89-7 ) is a useful research chemical.
Molecular Weight:	284.14
Molecular Formula:	C13H11Cl2NO2
Canonical SMILES:	C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)CO
InChI:	InChI=1S/C13H11Cl2NO2/c14-9-2-1-3-10(15)11(9)12-8(6-17)13(18-16-12)7-4-5-7/h1-3,7,17H,4-6H2
InChI Key:	KRGFOUGVZFEEBW-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	4.01810

Publication Number	Title	Priority Date
WO-2020249064-A1	Compounds for modulating fxr	20190614
CN-110818704-A	Spiro-bridged ring compounds, pharmaceutical compositions thereof and uses thereof	20180808
WO-2020029908-A1	Spiro bridged ring compound, pharmaceutical composition thereof and use thereof	20180808
WO-2020033382-A1	Compounds useful in modulating the farnesoid x receptor and methods of making and using the same	20180808
AU-2019319750-A1	Compounds useful in modulating the farnesoid X receptor and methods of making and using the same	20180808

Complexity:	291
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.016684
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	283.016684
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3