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JAK-IN-3 10mg

CAT: 0628-A20220-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A20220-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1400876-94-9

Chemical Information

Jak-IN-3
CAS Number1400876-94-9
PubChem CID68291755
IUPAC Name4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
Molecular FormulaC18H20N4O3
Molecular Weight340.4
XLogP1.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity458
SMILES
C[C@H]([C@@H](CO)NC1=C(C=NN2C1=CC(=C2)C3=CC=CC=C3)C(=O)N)O
InChI
InChI=1S/C18H20N4O3/c1-11(24)15(10-23)21-17-14(18(19)25)8-20-22-9-13(7-16(17)22)12-5-3-2-4-6-12/h2-9,11,15,21,23-24H,10H2,1H3,(H2,19,25)/t11-,15-/m1/s1
InChIKey
PRWQQLFMBINSAW-IAQYHMDHSA-N
Chemical Structure
2D Structure
2D structure of Jak-IN-3
CAS: 1400876-94-9
CID: 68291755
Formula: C18H20N4O3
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass340.15354051
Monoisotopic Mass340.15354051
Topological Polar Surface Area113 Ų
Heavy Atom Count25
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
REVOC326NVOC 3-Chloropropionitrile Neat - 10MG
REVOC149NVOC 12-Dibromo-3-chloropropane Neat - 10MG
REUFA014NFAME Std Linolenate C18:3 Neat - 10MG
REUFA022NFAME Std Homogamma linolenate C20:3 Neat - 10MG
445575-01D-Glyceraldehyde 3-Phosphate, (10mg/mL solution in water) dcd
REUFA015NFAME Std Methyl g-linolenate C18:3 Neat - 10MG
REUFA014SFAME Std Linolenate C18:3 10mg/mL in Hept - 1ML
TRC-KIT4108-1X1ML4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (10mg/mL in Methanol)
REUFA022SFAME Std Homogamma linolenate C20:3 10mg/mL in Hept - 1ML
REUFA030NFAME Std Methyl cis-131619-docosatrienoate C22:3 Neat - 10MG

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