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Compound Fr13489

CAT: 0931-Fr13489-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13489-02Size:2 mg
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CAS Number
22508-51-6
Bioactivity
Compound Fr13489, with CAS No. 22508-51-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13489 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
O=C(N1CCCC1)C12CC3CC(CC(C3)C1)C2
Molecular Formula
C15H23NO
Molecular Weight
233.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Adamantan-1-yl(pyrrolidin-1-yl)methanone
CAS Number22508-51-6
PubChem CID2741656
IUPAC Name1-adamantyl(pyrrolidin-1-yl)methanone
Molecular FormulaC15H23NO
Molecular Weight233.35
XLogP2.8
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity302
SMILES
C1CCN(C1)C(=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C15H23NO/c17-14(16-3-1-2-4-16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2
InChIKey
RVXVNLMWQYKNHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adamantan-1-yl(pyrrolidin-1-yl)methanone
CAS: 22508-51-6
CID: 2741656
Formula: C15H23NO
MW: 233.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.35
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass233.177964357
Monoisotopic Mass233.177964357
Topological Polar Surface Area20.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity302
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

Related Products

CatalogName
Fr13889-01Compound Fr13889
Fr13989-01Compound Fr13989
Fr13789-01Compound Fr13789
Fr13499-01Compound Fr13499
Fr13439-01Compound Fr13439
Fr13389-01Compound Fr13389
Fr13189-01Compound Fr13189
Fr13482-01Compound Fr13482
Fr13849-01Compound Fr13849
Fr13484-01Compound Fr13484

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