Ospemifene E-Isomer

CAT: 1596-AR-O01558-02Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-O01558-02Size:100 Units

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CAS Number

238089-02-6

Synonyms

(E) -2- (4- (4-chloro-1,2-diphenylbut-1-en-1-yl) phenoxy) ethanol;2-[4-[ (1E) -4-chloro-1,2-diphenyl-1-butenyl]phenoxy]ethanol; E-Ospemifene

Molecular Formula

C24H23ClO2

Molecular Weight

378.9

API Name

Ospemifene

Chemical Information

E-Ospemifene

CAS Number	238089-02-6
PubChem CID	9842777
IUPAC Name	2-[4-[(E)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol
Molecular Formula	C24H23ClO2
Molecular Weight	378.9
XLogP	6.5
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	441

SMILES

C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/C3=CC=C(C=C3)OCCO)/CCCl

InChI

InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23+

InChIKey

LUMKNAVTFCDUIE-WCWDXBQESA-N

Chemical Structure

2D Structure

CAS: 238089-02-6

CID: 9842777

Formula: C24H23ClO2

MW: 378.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.9
XLogP3	6.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	378.1386577
Monoisotopic Mass	378.1386577
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	441
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-N01605-01	Nintedanib E-isomer (Intedanib E-isomer)
AR-O01556-01	Ospemifene
AR-E01456-01	Epalrestat (E, E) -Isomer
AR-L01304-01	Teriflunomide-E Isomer
AR-L02089-01	Lumefantrine E-isomer
AR-C01784-01	Cefditoren E-isomer
AR-B00992-01	Betamethasone- (E) -enolaldehyde (E-isomer)
AR-O01559-01	Ospemifene Glucuronide
AR-O01560-01	Iodo Ospemifene
AR-O01561-01	Vinyl Ospemifene

Catalog	Name
TRC-H960140-100MG	(E)-4-Hydroxy Ospemifene (Ospemifene Impurity)90% Pure (10% Z-Isomer)
447780-01	E-Ospemifene
HY-B0723-01	Ospemifene