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STAT5-IN-2

CAT: 0926-LJD83461-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-LJD83461-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2111834-61-6
Smiles
CC (C1=NC=C (C=N1) F) NC (=O) OC (C) (C) C
Molecular Formula
C26H27N3O
Molecular Weight
397.5 g/mol
Controlled
No

Chemical Information

Stat5-IN-2
CAS Number2111834-61-6
PubChem CID137628635
IUPAC Name1-[2-(1H-indol-5-yloxy)ethyl]-4,4-dimethyl-6-pyridin-3-yl-2,3-dihydroquinoline
Molecular FormulaC26H27N3O
Molecular Weight397.5
XLogP5.7
Topological Polar Surface Area41.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity566
SMILES
CC1(CCN(C2=C1C=C(C=C2)C3=CN=CC=C3)CCOC4=CC5=C(C=C4)NC=C5)C
InChI
InChI=1S/C26H27N3O/c1-26(2)10-13-29(14-15-30-22-6-7-24-20(16-22)9-12-28-24)25-8-5-19(17-23(25)26)21-4-3-11-27-18-21/h3-9,11-12,16-18,28H,10,13-15H2,1-2H3
InChIKey
BELIZDRKUICBJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Stat5-IN-2
CAS: 2111834-61-6
CID: 137628635
Formula: C26H27N3O
MW: 397.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.5
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass397.215412493
Monoisotopic Mass397.215412493
Topological Polar Surface Area41.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity566
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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