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ASP1126

CAT: 0013-GTR19206990-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206990-03Size:100 mg
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Description
ASP1126
CAS Number
1228580-11-7
Field of Research
Pharmacology & Drug Discovery
Smiles
Cl.O=C (O) C1CCN (CC2=CC=3C=CC (OCC4=CC=C (OCC (F) (F) F) C (=C4) C (F) (F) F) =CC3OC2) CC1
Molecular Formula
C26H26ClF6NO5
Molecular Weight
581.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[[7-[[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CAS Number1228580-11-7
PubChem CID118892945
IUPAC Name1-[[7-[[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
Molecular FormulaC26H26ClF6NO5
Molecular Weight581.9
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity826
SMILES
C1CN(CCC1C(=O)O)CC2=CC3=C(C=C(C=C3)OCC4=CC(=C(C=C4)OCC(F)(F)F)C(F)(F)F)OC2.Cl
InChI
InChI=1S/C26H25F6NO5.ClH/c27-25(28,29)15-38-22-4-1-16(10-21(22)26(30,31)32)13-36-20-3-2-19-9-17(14-37-23(19)11-20)12-33-7-5-18(6-8-33)24(34)35;/h1-4,9-11,18H,5-8,12-15H2,(H,34,35);1H
InChIKey
LLYLBEQEAUKJEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[[7-[[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CAS: 1228580-11-7
CID: 118892945
Formula: C26H26ClF6NO5
MW: 581.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass581.1403696
Monoisotopic Mass581.1403696
Topological Polar Surface Area68.2 Ų
Heavy Atom Count39
Formal Charge0
Complexity826
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-125881ASP1126
A18432-100ASP1126 100mg
A18432-5ASP1126 5mg
A18432-50ASP1126 50mg
A18432-25ASP1126 25mg
A18432-10ASP1126 10mg

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