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BP Fluor 647 Alkyne

CAT: 0804-HY-W800775Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W800775Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BP Fluor 647 Alkyne is a bright green-fluorescent dye optimal for use with the 633, 650 nm Argon laser. The alkyne group can react with azides via copper catalyzed Click Chemistry reactions. The dye is water soluble and pH-insensitive from pH 4 to pH 10. The dye has 4 sulfonate groups which make it highly water soluble and cause less aggregation in the aqueous solution. BP Fluor 647 Alkyne is used for protein and antibody labeling, or nucleic acid applications with high labeling density.
CAS Number
2770422-56-3
UNSPSC
12171500
Hazard Statement
H302-H315-H319-H335
Target
Fluorescent Dye
Related Pathways
Others
Field of Research
Others
Smiles
O=C(CCCCCC1(C)C2=CC(S(=O)(O)=O)=CC=C2N(CCCS(=O)(O)=O)/C1=C\C=C\C=C\C3=[N+](CCCS(=O)([O-])=O)C4=C(C3(C)C)C=C(S(=O)(O)=O)C=C4)NCC#C
Molecular Formula
C39H49N3O13S4
Molecular Weight
896.08
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

3-(3,3-Dimethyl-2-(5-(3-methyl-3-(6-oxo-6-(prop-2-YN-1-ylamino)hexyl)-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-YL)-5-sulfo-3H-indol-1-ium-1-YL)propane-1-sulfonate
CAS Number2770422-56-3
PubChem CID172639544
IUPAC Name3-[3,3-dimethyl-2-[5-[3-methyl-3-[6-oxo-6-(prop-2-ynylamino)hexyl]-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]penta-1,3-dienyl]-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate
Molecular FormulaC39H49N3O13S4
Molecular Weight896.1
XLogP2.7
Topological Polar Surface Area289
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count19
Heavy Atom Count59
Formal Charge0
Complexity2140
SMILES
CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1C=CC=CC=C3C(C4=C(N3CCCS(=O)(=O)O)C=CC(=C4)S(=O)(=O)O)(C)CCCCCC(=O)NCC#C)CCCS(=O)(=O)[O-])C
InChI
InChI=1S/C39H49N3O13S4/c1-5-22-40-37(43)16-10-7-11-21-39(4)32-28-30(59(53,54)55)18-20-34(32)42(24-13-26-57(47,48)49)36(39)15-9-6-8-14-35-38(2,3)31-27-29(58(50,51)52)17-19-33(31)41(35)23-12-25-56(44,45)46/h1,6,8-9,14-15,17-20,27-28H,7,10-13,16,21-26H2,2-4H3,(H4-,40,43,44,45,46,47,48,49,50,51,52,53,54,55)
InChIKey
RGOFQBPAAHAVRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3,3-Dimethyl-2-(5-(3-methyl-3-(6-oxo-6-(prop-2-YN-1-ylamino)hexyl)-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-YL)-5-sulfo-3H-indol-1-ium-1-YL)propane-1-sulfonate
CAS: 2770422-56-3
CID: 172639544
Formula: C39H49N3O13S4
MW: 896.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight896.1
XLogP32.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count19
Exact Mass895.21482332
Monoisotopic Mass895.21482332
Topological Polar Surface Area289 Ų
Heavy Atom Count59
Formal Charge0
Complexity2140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes