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Coumarin-PEG3-TCO

CAT: 0013-GTR19341617-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19341617-01Size:5 mg
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Description
Coumarin-PEG3-TCO is a fluorescent dye conjugate containing a trans-cyclooctene (TCO) group, enabling rapid bioorthogonal labeling via inverse electron-demand Diels-Alder (iEDDA) reactions with tetrazines. This property facilitates applications in live-cell imaging, in vitro diagnostics, and the study of biomolecular interactions in research settings.
CAS Number
2488319-02-2
Field of Research
Pharmacology & Drug Discovery; Cell Biology
Molecular Weight
587.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Coumarin-PEG3-TCO
CAS Number2488319-02-2
PubChem CID168443904
IUPAC Name[(2Z)-cyclooct-2-en-1-yl] N-[2-[2-[2-[2-[[7-(diethylamino)-2-oxochromene-3-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC31H45N3O8
Molecular Weight587.7
XLogP4.6
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Heavy Atom Count42
Formal Charge0
Complexity891
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCOCCOCCOCCNC(=O)OC/3CCCCC/C=C3
InChI
InChI=1S/C31H45N3O8/c1-3-34(4-2)25-13-12-24-22-27(30(36)42-28(24)23-25)29(35)32-14-16-38-18-20-40-21-19-39-17-15-33-31(37)41-26-10-8-6-5-7-9-11-26/h8,10,12-13,22-23,26H,3-7,9,11,14-21H2,1-2H3,(H,32,35)(H,33,37)/b10-8-
InChIKey
RPSOVCKGDJDBTC-NTMALXAHSA-N
Chemical Structure
2D Structure
2D structure of Coumarin-PEG3-TCO
CAS: 2488319-02-2
CID: 168443904
Formula: C31H45N3O8
MW: 587.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight587.7
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Exact Mass587.32066540
Monoisotopic Mass587.32066540
Topological Polar Surface Area125 Ų
Heavy Atom Count42
Formal Charge0
Complexity891
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-156303Coumarin-PEG2-TCO
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