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Cyclapolin 9

CAT: 0013-GTR19201349-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201349-01Size:1 mg
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Description
Cyclapolin 9
CAS Number
40533-25-3
Product Name Alternative
Cyclapolin 9, PLK1
Field of Research
Cell Biology
Purity
99.50% (May vary between batches)
Solubility
DMSO:10 mg/mL (32.55 mM) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble)
Smiles
NC (=O) c1sc2c (cc (cc2[n+]1[O-]) C (F) (F) F) [N+] ([O-]) =O
Molecular Formula
C9H4F3N3O4S
Molecular Weight
307.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyclapolin 9
CAS Number40533-25-3
PubChem CID2779952
IUPAC Name7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide
Molecular FormulaC9H4F3N3O4S
Molecular Weight307.21
XLogP2.5
Topological Polar Surface Area143
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity430
SMILES
C1=C(C=C(C2=C1[N+](=C(S2)C(=O)N)[O-])[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C9H4F3N3O4S/c10-9(11,12)3-1-4-6(5(2-3)15(18)19)20-8(7(13)16)14(4)17/h1-2H,(H2,13,16)
InChIKey
FHFLXKUKCSDMLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclapolin 9
CAS: 40533-25-3
CID: 2779952
Formula: C9H4F3N3O4S
MW: 307.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.21
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass306.98746128
Monoisotopic Mass306.98746128
Topological Polar Surface Area143 Ų
Heavy Atom Count20
Formal Charge0
Complexity430
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

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CatalogName
M33843-01Cyclapolin 9

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