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AC-262536 500mg

CAT: 0628-A22179-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A22179-500Size:500 mg
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CAS Number
870888-46-3

Chemical Information

4-(3-Endo-hydroxy-8-azabicyclo[3.2.1]oct-8-yl)naphthalene-1-carbonitrile

A selective androgen receptor modulator.

CAS Number870888-46-3
PubChem CID44512434
IUPAC Name4-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
Molecular FormulaC18H18N2O
Molecular Weight278.3
XLogP3.5
Topological Polar Surface Area47.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity428
SMILES
C1C[C@H]2CC(C[C@@H]1N2C3=CC=C(C4=CC=CC=C43)C#N)O
InChI
InChI=1S/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2/t13-,14+,15?
InChIKey
ATKWLNSCJYLXPF-YIONKMFJSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-Endo-hydroxy-8-azabicyclo[3.2.1]oct-8-yl)naphthalene-1-carbonitrile
CAS: 870888-46-3
CID: 44512434
Formula: C18H18N2O
MW: 278.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.3
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass278.141913202
Monoisotopic Mass278.141913202
Topological Polar Surface Area47.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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