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Sorafenib Tosylate

CAT: 0607-A8245-20Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0607-A8245-20Size:20 mg
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Description
Raf kinases and tyrosine kinases inhibitor
CAS Number
475207-59-1
Product Name Alternative
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-methylbenzenesulfonic acid
Field of Research
Tyrosine Kinase PDGFR MAPK Signaling Raf Tyrosine Kinase VEGFR
Purity
0.9979
Form
A solid
Solubility
≥31.85 mg/mL in DMSO; insoluble in H2O; ≥4.15 mg/mL in EtOH with ultrasonic
Smiles
CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
Molecular Formula
C21H16ClF3N4O3·C7H8O3S
Molecular Weight
637.03
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Sorafenib Tosylate

Sorafenib tosylate is an organosulfonate salt. It contains a sorafenib.

CAS Number475207-59-1
PubChem CID406563
IUPAC Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-methylbenzenesulfonic acid
Molecular FormulaC28H24ClF3N4O6S
Molecular Weight637.0
Topological Polar Surface Area155
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count43
Formal Charge0
Complexity853
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
InChI
InChI=1S/C21H16ClF3N4O3.C7H8O3S/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3,(H,26,30)(H2,28,29,31);2-5H,1H3,(H,8,9,10)
InChIKey
IVDHYUQIDRJSTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sorafenib Tosylate
CAS: 475207-59-1
CID: 406563
Formula: C28H24ClF3N4O6S
MW: 637.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight637.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass636.1057179
Monoisotopic Mass636.1057179
Topological Polar Surface Area155 Ų
Heavy Atom Count43
Formal Charge0
Complexity853
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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