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N-Acetyl Axitinib

CAT: 0572-TRC-A134560-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A134560-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1639137-80-6
Synonyms
(E)-2-((1-Acetyl-3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)thio)-N-methylbenzamide
Hazard Statement
No Data Available; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CNC(=O)c1ccccc1Sc2ccc3c(\C=C\c4ccccn4)nn(C(=O)C)c3c2
Molecular Formula
C24H20N4O2S
Molecular Weight
428.51
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Acetyl Axitinib
CAS Number1639137-80-6
PubChem CID156118407
IUPAC Name2-[1-acetyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanyl-N-methylbenzamide
Molecular FormulaC24H20N4O2S
Molecular Weight428.5
XLogP4.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity672
SMILES
CC(=O)N1C2=C(C=CC(=C2)SC3=CC=CC=C3C(=O)NC)C(=N1)/C=C/C4=CC=CC=N4
InChI
InChI=1S/C24H20N4O2S/c1-16(29)28-22-15-18(31-23-9-4-3-8-20(23)24(30)25-2)11-12-19(22)21(27-28)13-10-17-7-5-6-14-26-17/h3-15H,1-2H3,(H,25,30)/b13-10+
InChIKey
DPCLTPPDTUVUIL-JLHYYAGUSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl Axitinib
CAS: 1639137-80-6
CID: 156118407
Formula: C24H20N4O2S
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass428.13069707
Monoisotopic Mass428.13069707
Topological Polar Surface Area102 Ų
Heavy Atom Count31
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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AR-A03046-01N-Acetyl Axitinib
AR-A03036-01N-Hydroxymethyl Axitinib
AR-A03040-01Axitinib N-Oxide
AR-A03037-01N-Formyl Axitinib
AR-A03031-01N-Hydroxy Axitinib
574151Axitinib N-Glucuronide
AR-A03038-01N-Methyl Axitinib
AR-A07702-01N-Nitroso Axitinib
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AR-A07704-01N-Nitroso-N-Methyl Axitinib

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