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SOS1-IN-11

CAT: 0607-BA5802-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5802-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2654741-64-5
Form
A solid
Molecular Formula
C22H24F3N5O
Molecular Weight
431.45
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Sos1-IN-11
CAS Number2654741-64-5
PubChem CID156526876
IUPAC Name4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
Molecular FormulaC22H24F3N5O
Molecular Weight431.5
XLogP4
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity588
SMILES
CC1=C(C=CC=C1C(F)(F)F)[C@@H](C)NC2=NN=C(C3=CN=C(C=C32)N4CCOCC4)C
InChI
InChI=1S/C22H24F3N5O/c1-13-16(5-4-6-19(13)22(23,24)25)14(2)27-21-17-11-20(30-7-9-31-10-8-30)26-12-18(17)15(3)28-29-21/h4-6,11-12,14H,7-10H2,1-3H3,(H,27,29)/t14-/m1/s1
InChIKey
RKWFDZPCFOPRML-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Sos1-IN-11
CAS: 2654741-64-5
CID: 156526876
Formula: C22H24F3N5O
MW: 431.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass431.19329489
Monoisotopic Mass431.19329489
Topological Polar Surface Area63.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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