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JAK-IN-26

CAT: 0607-BA4926-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4926-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2417134-93-9
Form
A solid
Molecular Formula
C22H24N6O3
Molecular Weight
420.46
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Jak-IN-26
CAS Number2417134-93-9
PubChem CID155279359
IUPAC NameN-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
Molecular FormulaC22H24N6O3
Molecular Weight420.5
XLogP2.8
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity645
SMILES
CCC(=O)C1=CN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4
InChI
InChI=1S/C22H24N6O3/c1-4-18(29)15-11-23-19(26-22(30)13-8-9-13)10-17(15)25-16-7-5-6-14(20(16)31-3)21-24-12-28(2)27-21/h5-7,10-13H,4,8-9H2,1-3H3,(H2,23,25,26,30)
InChIKey
FKCATCQHVCOBCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jak-IN-26
CAS: 2417134-93-9
CID: 155279359
Formula: C22H24N6O3
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass420.19098865
Monoisotopic Mass420.19098865
Topological Polar Surface Area111 Ų
Heavy Atom Count31
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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