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Ezetimibe Impurity 140

CAT: 1299-RM-E262140-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262140-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
163222-31-9
Synonyms
(3R,4S) -1- (4-fluorophenyl) -4- (4-hydroxyphenyl) -3- (3-oxo-3-phenylpropyl) azetidin-2-one
Molecular Formula
C24H20FNO3
Molecular Weight
389.43
Target Alternative Name
Ezetimibe
Product Name Synonym
(3R,4S) -1- (4-fluorophenyl) -4- (4-hydroxyphenyl) -3- (3-oxo-3-phenylpropyl) azetidin-2-one

Chemical Information

Ezetimibe Impurity 140
CAS Number163222-31-9
PubChem CID67243027
IUPAC Name(3R,4S)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-oxo-3-phenylpropyl)azetidin-2-one
Molecular FormulaC24H20FNO3
Molecular Weight389.4
XLogP4
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity575
SMILES
C1=CC=C(C=C1)C(=O)CC[C@@H]2[C@H](N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O
InChI
InChI=1S/C24H20FNO3/c25-18-8-10-19(11-9-18)26-23(17-6-12-20(27)13-7-17)21(24(26)29)14-15-22(28)16-4-2-1-3-5-16/h1-13,21,23,27H,14-15H2/t21-,23-/m1/s1
InChIKey
CHFAFIBYKNQIRA-FYYLOGMGSA-N
Chemical Structure
2D Structure
2D structure of Ezetimibe Impurity 140
CAS: 163222-31-9
CID: 67243027
Formula: C24H20FNO3
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass389.14272166
Monoisotopic Mass389.14272166
Topological Polar Surface Area57.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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