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IDO-IN-5 100mg

CAT: 0628-A21074-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A21074-100Size:100 mg
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CAS Number
1402837-79-9

Chemical Information

Ido-IN-5
CAS Number1402837-79-9
PubChem CID70874201
IUPAC Name4-[(1R)-2-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
Molecular FormulaC18H21FN2O2
Molecular Weight316.4
XLogP2.1
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity416
SMILES
C1CC(CCC1[C@@H](C[C@@H]2C3=C(C=CC=C3F)C4=CN=CN24)O)O
InChI
InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11?,12?,15-,17-/m1/s1
InChIKey
YGACXVRLDHEXKY-LRBMDJJVSA-N
Chemical Structure
2D Structure
2D structure of Ido-IN-5
CAS: 1402837-79-9
CID: 70874201
Formula: C18H21FN2O2
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass316.15870608
Monoisotopic Mass316.15870608
Topological Polar Surface Area58.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity416
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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