Products for Research Use Only
RegisterLogin

Axitinib Sulfoxide

CAT: 0572-TRC-A794885-5MGSize: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-A794885-5MGSize:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1347304-18-0
Synonyms
N-Methyl-2-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]sulfinyl]-benzamide
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CNC(=O)c1ccccc1S(=O)c2ccc3c(\C=C\c4ccccn4)n[nH]c3c2
Molecular Formula
C22 H18 N4 O2 S
Molecular Weight
402.47
InChI
InChI=1S/C22H18N4O2S/c1-23-22(27)18-7-2-3-8-21(18)29(28)16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
Additionnal Information
IUPAC name: N-methyl-2-[[3-[(E)-2-(2-pyridyl)vinyl]-1H-indazol-6-yl]sulfinyl]benzamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Axitinib sulfoxide
CAS Number1347304-18-0
PubChem CID86278350
IUPAC NameN-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfinyl]benzamide
Molecular FormulaC22H18N4O2S
Molecular Weight402.5
XLogP2.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity628
SMILES
CNC(=O)C1=CC=CC=C1S(=O)C2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4
InChI
InChI=1S/C22H18N4O2S/c1-23-22(27)18-7-2-3-8-21(18)29(28)16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
InChIKey
MAHSNFBPPYMWFB-FMIVXFBMSA-N
Chemical Structure
2D Structure
2D structure of Axitinib sulfoxide
CAS: 1347304-18-0
CID: 86278350
Formula: C22H18N4O2S
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass402.11504700
Monoisotopic Mass402.11504700
Topological Polar Surface Area107 Ų
Heavy Atom Count29
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-A794650-100MGAxitinib
TRC-A794650-10MGAxitinib
TRC-A794650-50MGAxitinib
TRC-A794652-10MGAxitinib-d3
TRC-A354850-100MGAxitinib Amide
TRC-D448359-25MGDihydro-Axitinib
TRC-D448359-10MGDihydro-Axitinib
TRC-D448359-2.5MGDihydro-Axitinib
TRC-A794930-25MGAxitinib Acid
TRC-A794652-1MGAxitinib-d3

Alternative Products

CatalogName
CS-O-13261Axitinib Sulfoxide
AR-A03042-01Axitinib Sulfoxide N-Oxide
HY-10065-01Axitinib

Popular Products