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Lapatinib Impurity 2

CAT: 1299-RM-L162002-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L162002-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
320337-48-2
Synonyms
(5- (4- ((3-chloro-4- ((3-fluorobenzyl) oxy) phenyl) amino) quinazolin-6-yl) furan-2-yl) methanol
Molecular Formula
C26H19ClFN3O3
Molecular Weight
475.9
Target Alternative Name
Lapatinib
Product Name Synonym
(5- (4- ((3-chloro-4- ((3-fluorobenzyl) oxy) phenyl) amino) quinazolin-6-yl) furan-2-yl) methanol

Chemical Information

Des(sulfonylethyl)amino Hydroxy Lapatinib
CAS Number320337-48-2
PubChem CID24738004
IUPAC Name[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methanol
Molecular FormulaC26H19ClFN3O3
Molecular Weight475.9
XLogP5.5
Topological Polar Surface Area80.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity648
SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)CO)Cl
InChI
InChI=1S/C26H19ClFN3O3/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)31-26-21-11-17(4-7-23(21)29-15-30-26)24-9-6-20(13-32)34-24/h1-12,15,32H,13-14H2,(H,29,30,31)
InChIKey
KWZZYAKRBYRQTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Des(sulfonylethyl)amino Hydroxy Lapatinib
CAS: 320337-48-2
CID: 24738004
Formula: C26H19ClFN3O3
MW: 475.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.9
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass475.1098973
Monoisotopic Mass475.1098973
Topological Polar Surface Area80.4 Ų
Heavy Atom Count34
Formal Charge0
Complexity648
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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