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Compound Fr13596

CAT: 0013-GTR19269937-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269937-01Size:1 mg
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Description
Compound Fr13596, with CAS No. 5810-66-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13596 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.
CAS Number
5810-66-2
Smiles
O=C1N2CCNC2 (C2=CC=CC=C12) C1=CC=CC=C1
Molecular Formula
C16H14N2O
Molecular Weight
250.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

9b-phenyl-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one
CAS Number5810-66-2
PubChem CID455107
IUPAC Name9b-phenyl-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
Molecular FormulaC16H14N2O
Molecular Weight250.29
XLogP1.9
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity377
SMILES
C1CN2C(=O)C3=CC=CC=C3C2(N1)C4=CC=CC=C4
InChI
InChI=1S/C16H14N2O/c19-15-13-8-4-5-9-14(13)16(17-10-11-18(15)16)12-6-2-1-3-7-12/h1-9,17H,10-11H2
InChIKey
VHOLDVWNAVAZQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9b-phenyl-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one
CAS: 5810-66-2
CID: 455107
Formula: C16H14N2O
MW: 250.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.29
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass250.110613074
Monoisotopic Mass250.110613074
Topological Polar Surface Area32.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity377
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
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GTR19269933-01Compound Fr13556
GTR19269907-01Compound Fr13296
GTR19269974-01Compound Fr13776
GTR19269932-01Compound Fr13547
GTR19269928-01Compound Fr13491
GTR19269921-01Compound Fr13416
GTR19269911-01Compound Fr13326

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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