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Cabozantinib Carboxylic Acid

CAT: 1596-AR-C05406-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C05406-01Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
849217-77-2
Synonyms
Cabozantinib Des-O-fluoroaniline; 1- ((4- ((6,7-Dimethoxyquinolin-4-yl) oxy) phenyl) carbamoyl) cyclopropanecarboxylic Acid
Molecular Formula
C22H20N2O6
Molecular Weight
408.41
API Name
Cabozantinib

Chemical Information

1-(((4-((6,7-Dimethoxy-4-quinolinyl)oxy)phenyl)amino)carbonyl)cyclopropanecarboxylic acid
CAS Number849217-77-2
PubChem CID57810164
IUPAC Name1-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]cyclopropane-1-carboxylic acid
Molecular FormulaC22H20N2O6
Molecular Weight408.4
XLogP3.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity631
SMILES
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)O
InChI
InChI=1S/C22H20N2O6/c1-28-18-11-15-16(12-19(18)29-2)23-10-7-17(15)30-14-5-3-13(4-6-14)24-20(25)22(8-9-22)21(26)27/h3-7,10-12H,8-9H2,1-2H3,(H,24,25)(H,26,27)
InChIKey
HXGYPQKHBCZWKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(((4-((6,7-Dimethoxy-4-quinolinyl)oxy)phenyl)amino)carbonyl)cyclopropanecarboxylic acid
CAS: 849217-77-2
CID: 57810164
Formula: C22H20N2O6
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass408.13213636
Monoisotopic Mass408.13213636
Topological Polar Surface Area107 Ų
Heavy Atom Count30
Formal Charge0
Complexity631
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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