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AC-42

CAT: 0013-GTR19198317-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198317-02Size:50 mg
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Description
AC-42 is a selective allosteric agonist for the M1 muscarinic acetylcholine receptor. It is utilized in neuroscience research to investigate receptor signaling and has shown potential in preclinical models for studying cognitive disorders.
CAS Number
244291-63-2
Field of Research
Neuroscience
Smiles
C (CCCN1CCC (CCCC) CC1) (=O) C2=C (C) C=CC=C2
Molecular Formula
C20H31NO
Molecular Weight
301.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(4-Butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
CAS Number244291-63-2
PubChem CID9948320
IUPAC Name4-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
Molecular FormulaC20H31NO
Molecular Weight301.5
XLogP5.2
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity320
SMILES
CCCCC1CCN(CC1)CCCC(=O)C2=CC=CC=C2C
InChI
InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
InChIKey
ANTKBACNWQHQJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
CAS: 244291-63-2
CID: 9948320
Formula: C20H31NO
MW: 301.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.5
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass301.240564612
Monoisotopic Mass301.240564612
Topological Polar Surface Area20.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity320
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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