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Cabozantinib Urea Dimer

CAT: 1596-AR-C09095-02Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C09095-02Size:50 Units
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CAS Number
2840522-81-6
Synonyms
1,3-Bis (4- ((6,7-dimethoxyquinolin-4-yl) oxy) phenyl) urea
Molecular Formula
C35H30N4O7
Molecular Weight
618.6
API Name
Cabozantinib

Chemical Information

U9Jvk2Q362
CAS Number2840522-81-6
PubChem CID165143779
IUPAC Name1,3-bis[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
Molecular FormulaC35H30N4O7
Molecular Weight618.6
XLogP6
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count46
Formal Charge0
Complexity874
SMILES
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC5=C6C=C(C(=CC6=NC=C5)OC)OC
InChI
InChI=1S/C35H30N4O7/c1-41-31-17-25-27(19-33(31)43-3)36-15-13-29(25)45-23-9-5-21(6-10-23)38-35(40)39-22-7-11-24(12-8-22)46-30-14-16-37-28-20-34(44-4)32(42-2)18-26(28)30/h5-20H,1-4H3,(H2,38,39,40)
InChIKey
FFZGLGODGIZKDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of U9Jvk2Q362
CAS: 2840522-81-6
CID: 165143779
Formula: C35H30N4O7
MW: 618.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight618.6
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass618.21144931
Monoisotopic Mass618.21144931
Topological Polar Surface Area122 Ų
Heavy Atom Count46
Formal Charge0
Complexity874
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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