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AST5902

CAT: 0013-GTR19184051-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184051-01Size:1 mg
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Description
AST5902
CAS Number
2412155-74-7
Field of Research
Cardiovascular Research, Metabolism Research, Signal Transduction
Smiles
C=CC (NC1=CC (NC2=NC=CC (C3=CN (C) C4=C3C=CC=C4) =N2) =C (OCC (F) (F) F) N=C1N (C) CCNC) =O
Molecular Formula
C27H29F3N8O2
Molecular Weight
554.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ast-5902
CAS Number2412155-74-7
PubChem CID146405881
IUPAC NameN-[5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[methyl-[2-(methylamino)ethyl]amino]-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide
Molecular FormulaC27H29F3N8O2
Molecular Weight554.6
XLogP4
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity836
SMILES
CNCCN(C)C1=NC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OCC(F)(F)F
InChI
InChI=1S/C27H29F3N8O2/c1-5-23(39)33-20-14-21(25(40-16-27(28,29)30)36-24(20)37(3)13-12-31-2)35-26-32-11-10-19(34-26)18-15-38(4)22-9-7-6-8-17(18)22/h5-11,14-15,31H,1,12-13,16H2,2-4H3,(H,33,39)(H,32,34,35)
InChIKey
OYVNKZAYJFLKCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ast-5902
CAS: 2412155-74-7
CID: 146405881
Formula: C27H29F3N8O2
MW: 554.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.6
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass554.23655668
Monoisotopic Mass554.23655668
Topological Polar Surface Area109 Ų
Heavy Atom Count40
Formal Charge0
Complexity836
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

Alternative Products

CatalogName
HY-138627AST5902
T35361-01AST5902 trimesylate
T205187-01AST5902 (trimesylate)
HY-138627B-01AST5902 (mesylate)
HY-138627ARAST5902 (trimesylate) (Standard)
MBS5765650AST5902 mesylate (2412155-74-7 free base)

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