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Cyanine3 NHS ester tetrafluoroborate | CAS 2632339-91-2
| Catalog Number | R01-0016 |
| Category | NHS Esters |
| Molecular Formula | C34H40BF4N3O4 |
| Molecular Weight | 641.51 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Cyanine3 NHS ester tetrafluoroborate is a fluorescent labeling reagent used for bioconjugation. It contains a Cyanine3 (Cy3) fluorophore activated as an N-hydroxysuccinimide (NHS) ester, with tetrafluoroborate as the counterion. The NHS ester group reacts with primary amines to form stable amide bonds, enabling efficient labeling of proteins, peptides, antibodies, and amino-modified oligonucleotides. It is widely used in fluorescence microscopy, flow cytometry, microarray analysis, and other molecular biology applications.
Chemical Information
Product Specification
Computed Properties
Chemical Information
| Related CAS | 1393427-85-4 (without anion) |
| Synonyms | By-3 NHS (Cy3 analogue); Cyanine3 NHS ester minimal dye; Cyanine 3 NHS Ester; Cyanine3 NHS ester (BF4); 2-(3-(1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium tetrafluoroborate; 3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-3,3-dimethyl-, tetrafluoroborate(1-) (1:1); 1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-2-(3-(1,3,3-trimethylindolin-2-ylidene)prop-1-en-1-yl)-3H-indol-1-ium tetrafluoroborate; Cy3 NHS ester tetrafluoroborate |
| Purity | NMR 1H and HPLC-MS (95+%) |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 6-[3,3-dimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanoate tetrafluoroborate |
| SMILES | [B-](F)(F)(F)F.CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)ON5C(=O)CCC5=O)(C)C)C)C |
| InChI | InChI=1S/C34H40N3O4.BF4/c1-33(2)24-14-8-10-16-26(24)35(5)28(33)18-13-19-29-34(3,4)25-15-9-11-17-27(25)36(29)23-12-6-7-20-32(40)41-37-30(38)21-22-31(37)39;2-1(3,4)5/h8-11,13-19H,6-7,12,20-23H2,1-5H3;/q+1;-1 |
| InChIKey | IKCZEWWKZQLLCC-UHFFFAOYSA-N |
| Solubility | Soluble in DCM, DMF, DMSO |
| Appearance | Red powder |
Product Specification
| ε, L⋅mol-1⋅cm-1 | 150000 |
| Fluorescence Quantum Yield | 0.31 |
| Excitation | 555 |
| Emission | 570 |
| Storage | Store at -20 °C |
Computed Properties
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 589.2707345 g/mol |
| Monoisotopic Mass | 589.2707345 g/mol |
| Topological Polar Surface Area | 69.9Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1120 |
| 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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