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Sunitinib Impurity A

CAT: 1299-RM-S142001-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S142001-02Size:25 mg
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CAS Number
1691223-83-2
Synonyms
(E) -N- (2- (diethylamino) ethyl) -5- ((5-fluoro-2-oxoindolin-3-ylidene) methyl) -2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular Formula
C22H27FN4O2
Molecular Weight
398.47
Target Alternative Name
Sunitinib
Product Name Synonym
(E) -N- (2- (diethylamino) ethyl) -5- ((5-fluoro-2-oxoindolin-3-ylidene) methyl) -2,4-dimethyl-1H-pyrrole-3-carboxamide

Chemical Information

(E)-Sunitinib
CAS Number1691223-83-2
PubChem CID6456016
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular FormulaC22H27FN4O2
Molecular Weight398.5
XLogP2.6
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity636
SMILES
CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C/2\C3=C(C=CC(=C3)F)NC2=O)C
InChI
InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12+
InChIKey
WINHZLLDWRZWRT-SFQUDFHCSA-N
Chemical Structure
2D Structure
2D structure of (E)-Sunitinib
CAS: 1691223-83-2
CID: 6456016
Formula: C22H27FN4O2
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass398.21180428
Monoisotopic Mass398.21180428
Topological Polar Surface Area77.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes