Home Other Building Blocks Regorafenib HCl

Regorafenib HCl

CAS No.:
835621-07-3
Catalog Number:
AG00G3PQ
Molecular Formula:
C21H16Cl2F4N4O3
Molecular Weight:
519.2764
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$140
- +
50mg
99%
1 week
United States
$223
- +
100mg
99%
1 week
United States
$307
- +
Product Description
Catalog Number:
AG00G3PQ
Chemical Name:
Regorafenib HCl
CAS Number:
835621-07-3
Molecular Formula:
C21H16Cl2F4N4O3
Molecular Weight:
519.2764
MDL Number:
MFCD22417053
IUPAC Name:
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;hydrochloride
InChI:
InChI=1S/C21H15ClF4N4O3.ClH/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26;/h2-10H,1H3,(H,27,31)(H2,29,30,32);1H
InChI Key:
ACSWJKPZXNIVMY-UHFFFAOYSA-N
SMILES:
CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl.Cl
EC Number:
692-722-3
Properties
Complexity:
686  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.054g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
519.278g/mol
Monoisotopic Mass:
518.054g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties