Dihydro-Axitinib

CAT: 0572-TRC-D448359-25MGSize: 25 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-D448359-25MGSize:25 mg

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CAS Number

1443118-73-7

Synonyms

2-((1-Acetyl-1H-indazol-6-yl)sulfinyl)-N-methylbenzamide; Axitinib Impurity F;

Hazard Statement

Harmful if swallowed

Purity

>95% (HPLC)

Smiles

CNC(=O)c1ccccc1Sc2ccc3c(CCc4ccccn4)n[nH]c3c2

Molecular Formula

C22H20N4OS

Molecular Weight

388.49

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Dihydro-Axitinib

CAS Number	1443118-73-7
PubChem CID	60182318
IUPAC Name	N-methyl-2-[[3-(2-pyridin-2-ylethyl)-2H-indazol-6-yl]sulfanyl]benzamide
Molecular Formula	C22H20N4OS
Molecular Weight	388.5
XLogP	4.1
Topological Polar Surface Area	96
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	519

SMILES

CNC(=O)C1=CC=CC=C1SC2=CC3=NNC(=C3C=C2)CCC4=CC=CC=N4

InChI

InChI=1S/C22H20N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,27)(H,25,26)

InChIKey

JPTQVDRPKXSDDN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1443118-73-7

CID: 60182318

Formula: C22H20N4OS

MW: 388.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	388.5
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	388.13578245
Monoisotopic Mass	388.13578245
Topological Polar Surface Area	96 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	519
Isotope Atom Count	0
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

Related Products

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TRC-A794650-100MG	Axitinib
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TRC-A354850-100MG	Axitinib Amide
TRC-A794885-25MG	Axitinib Sulfoxide
TRC-A794885-5MG	Axitinib Sulfoxide
TRC-A794885-10MG	Axitinib Sulfoxide
TRC-A794930-25MG	Axitinib Acid
TRC-A794652-1MG	Axitinib-d3

Alternative Products

Catalog	Name
AR-A03022-01	Dihydro-Axitinib
HY-10065-01	Axitinib

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