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Lapatinib Impurity 12

CAT: 1299-RM-L162012-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L162012-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
231278-84-5
Synonyms
5- (4- ((3-chloro-4- ((3-fluorobenzyl) oxy) phenyl) amino) quinazolin-6-yl) furan-2-carbaldehyde
Molecular Formula
C26H17ClFN3O3
Molecular Weight
473.88
Target Alternative Name
Lapatinib
Product Name Synonym
5- (4- ((3-chloro-4- ((3-fluorobenzyl) oxy) phenyl) amino) quinazolin-6-yl) furan-2-carbaldehyde

Chemical Information

(5-(4-(4-((3-Fluorobenzyl)oxy)-3-chloroanilino)-6-quinazolinyl)-2-furancarboxaldehyde
CAS Number231278-84-5
PubChem CID11181296
IUPAC Name5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde
Molecular FormulaC26H17ClFN3O3
Molecular Weight473.9
XLogP6.1
Topological Polar Surface Area77.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity675
SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)C=O)Cl
InChI
InChI=1S/C26H17ClFN3O3/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/h1-13,15H,14H2,(H,29,30,31)
InChIKey
XQPZOUAAXRXPAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (5-(4-(4-((3-Fluorobenzyl)oxy)-3-chloroanilino)-6-quinazolinyl)-2-furancarboxaldehyde
CAS: 231278-84-5
CID: 11181296
Formula: C26H17ClFN3O3
MW: 473.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.9
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass473.0942473
Monoisotopic Mass473.0942473
Topological Polar Surface Area77.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity675
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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