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Cabozantinib

CAS No.:
1021950-26-4
Catalog Number:
AG008TKE
Molecular Formula:
C31H31FN6O5
Molecular Weight:
586.6134
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$189
- +
10mg
99%
1 week
United States
$258
- +
25mg
99%
1 week
United States
$460
- +
Product Description
Catalog Number:
AG008TKE
Chemical Name:
Cabozantinib
CAS Number:
1021950-26-4
Molecular Formula:
C31H31FN6O5
Molecular Weight:
586.6134
MDL Number:
MFCD17010276
IUPAC Name:
1-N'-(4-fluorophenyl)-1-N-[4-[[2-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
InChI:
InChI=1S/C31H31FN6O5/c32-20-1-3-21(4-2-20)35-29(40)31(10-11-31)30(41)36-22-5-7-23(8-6-22)43-26-9-12-33-27-24(26)19-25(37-27)28(39)34-13-14-38-15-17-42-18-16-38/h1-9,12,19H,10-11,13-18H2,(H,33,37)(H,34,39)(H,35,40)(H,36,41)
InChI Key:
PKOVTRMHYNEBDU-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)Oc1ccnc2c1cc([nH]2)C(=O)NCCN1CCOCC1
Properties
Complexity:
978  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
586.234g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
586.624g/mol
Monoisotopic Mass:
586.234g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties