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Lu AF58801

CAT: 0013-GTR19198926-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198926-01Size:25 mg
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Description
Lu AF58801 is a selective, brain-penetrant positive allosteric modulator of the α7 nicotinic acetylcholine receptor. This compound is a valuable research tool for investigating the role of α7 nAChRs in cognitive function and neuropsychiatric disorders, supporting both in vitro binding assays and in vivo behavioral studies.
CAS Number
1531592-40-1
Field of Research
Metabolism Research
Smiles
C (N[C@@H] (CO) C1=CC=C (OCC) C=C1) (=O) [C@@H]2[C@H] (C2) C3=CC=CC=C3
Molecular Formula
C20H23NO3
Molecular Weight
325.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1s,2s)-2-Phenylcyclopropanecarboxylic acid [alpha(r)-(4-ethoxyphenyl)-2-hydroxyethyl]amide
CAS Number1531592-40-1
PubChem CID72947492
IUPAC Nametrans-(1S,2S)-N-[(1R)-1-(4-ethoxyphenyl)-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide
Molecular FormulaC20H23NO3
Molecular Weight325.4
XLogP2.6
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity400
SMILES
CCOC1=CC=C(C=C1)[C@H](CO)NC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3
InChI
InChI=1S/C20H23NO3/c1-2-24-16-10-8-15(9-11-16)19(13-22)21-20(23)18-12-17(18)14-6-4-3-5-7-14/h3-11,17-19,22H,2,12-13H2,1H3,(H,21,23)/t17-,18+,19+/m1/s1
InChIKey
UIVKAFXVMUZVHS-QYZOEREBSA-N
Chemical Structure
2D Structure
2D structure of (1s,2s)-2-Phenylcyclopropanecarboxylic acid [alpha(r)-(4-ethoxyphenyl)-2-hydroxyethyl]amide
CAS: 1531592-40-1
CID: 72947492
Formula: C20H23NO3
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass325.16779360
Monoisotopic Mass325.16779360
Topological Polar Surface Area58.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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