Sorafenib (D4) 1mg

CAT: 0628-A21495-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A21495-1Size:1 mg

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CAS Number

1207560-07-3

Chemical Information

Sorafenib-d4

CAS Number	1207560-07-3
PubChem CID	44814842
IUPAC Name	4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2,3,5,6-tetradeuteriophenoxy]-N-methylpyridine-2-carboxamide
Molecular Formula	C21H16ClF3N4O3
Molecular Weight	468.8
XLogP	4.1
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	32
Formal Charge	0
Complexity	646

SMILES

[2H]C1=C(C(=C(C(=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)[2H])[2H])OC3=CC(=NC=C3)C(=O)NC)[2H]

InChI

InChI=1S/C21H16ClF3N4O3/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/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i2D,3D,5D,6D

InChIKey

MLDQJTXFUGDVEO-KDWOUJHVSA-N

Chemical Structure

2D Structure

CAS: 1207560-07-3

CID: 44814842

Formula: C21H16ClF3N4O3

MW: 468.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	468.8
XLogP3	4.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	468.1114095
Monoisotopic Mass	468.1114095
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	646
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Sorafenib (D4) 1mg

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