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JAK1-IN-8

CAT: 0607-BA4918-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4918-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1973485-18-5
Form
A solid
Molecular Formula
C22H23FN4O3S
Molecular Weight
442.51
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Jak1-IN-8
CAS Number1973485-18-5
PubChem CID122462620
IUPAC NameN-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
Molecular FormulaC22H23FN4O3S
Molecular Weight442.5
XLogP2.5
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity757
SMILES
C1CC1C(=O)NC2=CN3C(=N2)C=CC=C3C4=CC(=C(C=C4)CN5CCS(=O)(=O)CC5)F
InChI
InChI=1S/C22H23FN4O3S/c23-18-12-16(6-7-17(18)13-26-8-10-31(29,30)11-9-26)19-2-1-3-21-24-20(14-27(19)21)25-22(28)15-4-5-15/h1-3,6-7,12,14-15H,4-5,8-11,13H2,(H,25,28)
InChIKey
QDYVZZJCRDVVQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jak1-IN-8
CAS: 1973485-18-5
CID: 122462620
Formula: C22H23FN4O3S
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass442.14748994
Monoisotopic Mass442.14748994
Topological Polar Surface Area92.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity757
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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