7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one - CAS 35212-22-7

Name: 7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022527
Product Name:	7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one
CAS:	35212-22-7
Synonyms:	Osten; Osteofix; Yambolap; 7-Isopropoxyisoflavone; Ipriflavonum; 7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one; FL 113; FL-113
Application:	Ipriflavone (CAS# 35212-22-7) is a useful research chemical compound.

Technical Data

IUPAC Name:	Ipriflavone
Description:	Ipriflavone (7-Isopropoxyisoflavon) is used to inhibit bone resorption.
Molecular Weight:	280.32
Molecular Formula:	C18H16O3
Canonical SMILES:	CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
InChI:	InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
InChI Key:	SFBODOKJTYAUCM-UHFFFAOYSA-N
Boiling Point:	435.9 °C at 760 mmHg
Melting Point:	115-117 °C
Flash Point:	209.3°C
Purity:	> 98 %
Density:	1.184 g/cm³
Solubility:	2.301 mg/L at 25 °C (est)
Appearance:	White powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
LogP:	4.24720
Refractive Index:	1.592

Publication Number	Title	Priority Date
CN-113512018-A	Flavonoid compound and preparation method and application thereof	20210707
CN-112933076-A	Application of flavone derivative	20210204
CN-112707898-A	Heteroaryl-substituted pyrazine derivative and application thereof	20201221
CN-112142716-A	5-membered heteroaryl substituted pyrazine derivative and application thereof	20201029
CN-112142716-B	5-membered heteroaryl substituted pyrazine derivative and application thereof	20201029

PMID	Publication Date	Title	Journal
33360795	20210205	The giardicidal activity of lobendazole, fabomotizole, tenatoprazole and ipriflavone: A ligand-based virtual screening and in\xa0vitro study	European journal of medicinal chemistry
28551711	20171201	Why are most phospholipidosis inducers also hERG blockers?	Archives of toxicology
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22200590	20120301	Mutagenicity of ipriflavone in vivo and in vitro	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
21594876	20120101	Determination of ipriflavone in human plasma by LC-MS and its application in a pharmacokinetic study	Biomedical chromatography : BMC

Complexity:	407
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	280.109944368
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	280.109944368
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4