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6-Cyano Lenvatinib

CAT: 1596-AR-L06774-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L06774-01Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1882873-21-3
Synonyms
1- (2-chloro-4- ((6-cyano-7-methoxyquinolin-4-yl) oxy) phenyl) -3-cyclopropylurea
Molecular Formula
C21H17ClN4O3
Molecular Weight
408.84
API Name
Lenvatinib

Chemical Information

1-(2-Chloro-4-((6-cyano-7-methoxyquinolin-4-yl)oxy)phenyl)-3-cyclopropylurea
CAS Number1882873-21-3
PubChem CID130181760
IUPAC Name1-[2-chloro-4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-cyclopropylurea
Molecular FormulaC21H17ClN4O3
Molecular Weight408.8
XLogP3.6
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity637
SMILES
COC1=CC2=NC=CC(=C2C=C1C#N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl
InChI
InChI=1S/C21H17ClN4O3/c1-28-20-10-18-15(8-12(20)11-23)19(6-7-24-18)29-14-4-5-17(16(22)9-14)26-21(27)25-13-2-3-13/h4-10,13H,2-3H2,1H3,(H2,25,26,27)
InChIKey
CKIBVUCMZIZNRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Chloro-4-((6-cyano-7-methoxyquinolin-4-yl)oxy)phenyl)-3-cyclopropylurea
CAS: 1882873-21-3
CID: 130181760
Formula: C21H17ClN4O3
MW: 408.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.8
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass408.0989181
Monoisotopic Mass408.0989181
Topological Polar Surface Area96.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity637
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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