3,3'-Dipentyloxacarbocyanine iodide

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3,3'-Dipentyloxacarbocyanine iodide

3,3'-Dipentyloxacarbocyanine iodide | CAS 53213-81-3

Catalog Number A16-0164
Category Cell membrane Fluorescent Probes
Molecular Formula C27H33IN2O2
Molecular Weight 544.47
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Product Introduction

3,3'-Dipentyloxacarbocyanine iodide is a cyanine-based fluorescent dye featuring an extended conjugated aromatic system, which contributes to its characteristic absorption and emission properties in the visible spectrum. This compound is frequently utilized as a membrane probe due to its ability to integrate into lipid bilayers, allowing researchers to monitor membrane dynamics and assess membrane potential changes in various bioimaging applications. Its spectral properties are leveraged in fluorescence microscopy and flow cytometry, where it functions as a reporter molecule, enabling the visualization and tracking of cellular structures and processes.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

Chemical Information

Synonyms DiOC5(3)
IUPAC Name (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide
SMILES CCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCC.[I-]
InChI InChI=1S/C27H33N2O2.HI/c1-3-5-11-20-28-22-14-7-9-16-24(22)30-26(28)18-13-19-27-29(21-12-6-4-2)23-15-8-10-17-25(23)31-27;/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3;1H/q+1;/p-1
InChIKey CDLMLYASVIQVPH-UHFFFAOYSA-M

Product Specification

Excitation 532
Emission 580
Signal Danger
GHSHazardStatements H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Application

Computed Properties

Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 10
Exact Mass 544.15868 g/mol
Monoisotopic Mass 544.15868 g/mol
Topological Polar Surface Area 29.5Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 554
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

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