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XL-518 raceMate

CAS No.:
934662-91-6
Catalog Number:
AG00GU2K
Molecular Formula:
C21H21F3IN3O2
Molecular Weight:
531.3100
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$357
- +
10mg
99%
1 week
United States
$557
- +
50mg
99%
1 week
United States
$1390
- +
Product Description
Catalog Number:
AG00GU2K
Chemical Name:
XL-518 raceMate
CAS Number:
934662-91-6
Molecular Formula:
C21H21F3IN3O2
Molecular Weight:
531.3100
MDL Number:
MFCD25977160
IUPAC Name:
[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-(3-hydroxy-3-piperidin-2-ylazetidin-1-yl)methanone
InChI:
InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2
InChI Key:
BSMCAPRUBJMWDF-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)C1CCCCN1
Properties
Complexity:
624  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
531.063g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
531.318g/mol
Monoisotopic Mass:
531.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties