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Compound Fr12972

CAT: 0931-Fr12972-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12972-01Size:100 mg
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CAS Number
308108-06-7
Bioactivity
Compound Fr12972, with CAS No. 308108-06-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12972 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
CC12NC(=O)CN1CCc1ccccc21
Molecular Formula
C12H14N2O
Molecular Weight
202.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

10b-Methyl-1,3,5,6-tetrahydroimidazo[2,1-a]isoquinolin-2-one

10b-methyl-1,5,6,10b-tetrahydroimidazo[2,1-a]isoquinolin-2(3H)-one is a member of isoquinolines.

CAS Number308108-06-7
PubChem CID2729900
IUPAC Name10b-methyl-1,3,5,6-tetrahydroimidazo[2,1-a]isoquinolin-2-one
Molecular FormulaC12H14N2O
Molecular Weight202.25
XLogP1.2
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity291
SMILES
CC12C3=CC=CC=C3CCN1CC(=O)N2
InChI
InChI=1S/C12H14N2O/c1-12-10-5-3-2-4-9(10)6-7-14(12)8-11(15)13-12/h2-5H,6-8H2,1H3,(H,13,15)
InChIKey
WJOLEEOJQKLSBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10b-Methyl-1,3,5,6-tetrahydroimidazo[2,1-a]isoquinolin-2-one
CAS: 308108-06-7
CID: 2729900
Formula: C12H14N2O
MW: 202.25
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.25
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass202.110613074
Monoisotopic Mass202.110613074
Topological Polar Surface Area32.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity291
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr12977-01Compound Fr12977
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Fr12927-01Compound Fr12927
Fr12902-01Compound Fr12902
Fr12932-01Compound Fr12932
Fr12982-01Compound Fr12982
Fr12970-01Compound Fr12970

Alternative Products

CatalogName
ALX-550-516-M025Compound A
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C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
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HY-U00358Compound 2
HY-14176-01Compound E
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