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Coumarin-PEG2-SCO

CAT: 0804-HY-D2099Size: 1 EachDry Ice: NoHazardous: No
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Description
Coumarin-PEG2-SCO, a Coumarin deravitive, is a fluorescent dye, and can be used for labeling of small molecules and biomolecules[1].
CAS Number
2488239-94-5
UNSPSC
12171500
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/coumarin-peg2-sco.html
Solubility
10 mM in DMSO
Smiles
O=C(NCCOCCOCCNC(C1=CC2=C(OC1=O)C=C(N(CC)CC)C=C2)=O)OC3C#CCCCCC3
Molecular Formula
C29H39N3O7
Molecular Weight
541.64
References & Citations
[1]Liu M, et al. Quantitative analysis of nine coumarins in rat urine and bile after oral administration of Radix Glehniae extract by high-performance liquid chromatography-electrospray ionization tandem mass spectrometry. Biomed Chromatogr. 2011 Jul;25 (7) :7
Shipping Conditions
Room temperature
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Coumarin-PEG2-SCO
CAS Number2488239-94-5
PubChem CID169450713
IUPAC Namecyclooct-2-yn-1-yl N-[2-[2-[2-[[7-(diethylamino)-2-oxochromene-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC29H39N3O7
Molecular Weight541.6
XLogP4.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count39
Formal Charge0
Complexity905
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCOCCOCCNC(=O)OC3CCCCCC#C3
InChI
InChI=1S/C29H39N3O7/c1-3-32(4-2)23-13-12-22-20-25(28(34)39-26(22)21-23)27(33)30-14-16-36-18-19-37-17-15-31-29(35)38-24-10-8-6-5-7-9-11-24/h12-13,20-21,24H,3-8,10,14-19H2,1-2H3,(H,30,33)(H,31,35)
InChIKey
SJLUNTCZPYMBTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Coumarin-PEG2-SCO
CAS: 2488239-94-5
CID: 169450713
Formula: C29H39N3O7
MW: 541.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight541.6
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass541.27880059
Monoisotopic Mass541.27880059
Topological Polar Surface Area115 Ų
Heavy Atom Count39
Formal Charge0
Complexity905
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

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