Sulfo-Cyanine3 NHS ester

Name: Sulfo-Cyanine3 NHS ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	R01-0029
Category	NHS Esters
Molecular Formula	C34H38N3KO10S2
Molecular Weight	751.91

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Product Introduction

Sulfo-Cyanine3 NHS ester is a reactive dye that features a sulfonated cyanine scaffold, making it suitable for water-soluble bioconjugation applications. The NHS ester functional group facilitates the covalent attachment of the dye to primary amines on proteins or other biomolecules, enabling efficient labeling and detection in aqueous environments. This compound is frequently used in fluorescence-based assays, where its reactive functionality supports the creation of stable conjugates for imaging and analytical purposes.

Chemical Information
Product Specification
Computed Properties

Chemical Information

Related CAS	1424150-38-8 (sodium salt)
Synonyms	potassium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-2-[3-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)prop-2-enylidene]indole-5-sulfonate; potassium 1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-2-((E)-3-((E)-1,3,3-trimethyl-5-sulfonatoindolin-2-ylidene)prop-1-en-1-yl)-3H-indol-1-ium-5-sulfonate
Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	potassium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-2-[3-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)prop-2-enylidene]indole-5-sulfonate
SMILES	CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=C3C(C4=C(N3CCCCCC(=O)ON5C(=O)CCC5=O)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[K+]
InChI	InChI=1S/C34H39N3O10S2.K/c1-33(2)24-20-22(48(41,42)43)13-15-26(24)35(5)28(33)10-9-11-29-34(3,4)25-21-23(49(44,45)46)14-16-27(25)36(29)19-8-6-7-12-32(40)47-37-30(38)17-18-31(37)39;/h9-11,13-16,20-21H,6-8,12,17-19H2,1-5H3,(H-,41,42,43,44,45,46);/q;+1/p-1
InChIKey	ZNWGQSGULWNMHO-UHFFFAOYSA-M
Solubility	soluble in water (0.62 M = 47 g/L), in polar organic solvents (DMF, DMSO)
Appearance	dark red crystals

Product Specification

ε, L⋅mol-1⋅cm-1	162000
Fluorescence Quantum Yield	0.1
Excitation	548
Emission	563
Storage	12 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate.

Computed Properties

Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	11
Exact Mass	751.16356825 g/mol
Monoisotopic Mass	751.16356825 g/mol
Topological Polar Surface Area	201Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1630
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes