BDP 630/650 alkyne | 2006345-38-4

Catalog Number	F01-0004
Category	BODIPY
Molecular Formula	C26H20N3BF2O2S
Molecular Weight	487.33

Catalog Number	Size	Price	Quantity
F01-0004	--	$--

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Product Introduction

BDP 630/650 is a red emitting fluorophore matching the Cyanine5 channel. The dye is useful for fluorescence polarization assays. It is also remarkably photostable. The terminal alkyne group can be conjugated with various azides by copper catalyzed Click chemistry.

Chemical Information
Product Specification

Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]-N-prop-2-ynylacetamide
Canonical SMILES	[B-]1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)NCC#C)C=C4[N+]1=C(C=C4)C5=CC=CS5)(F)F
InChI	InChI=1S/C26H20BF2N3O2S/c1-2-15-30-26(33)18-34-23-12-6-19(7-13-23)5-8-20-9-10-21-17-22-11-14-24(25-4-3-16-35-25)32(22)27(28,29)31(20)21/h1,3-14,16-17H,15,18H2,(H,30,33)/b8-5+
InChI Key	DQTUTMHFRQVZSG-VMPITWQZSA-N
Solubility	good in DMF, DMSO, alcohols
Appearance	dark colored solid

ε, L⋅mol-1⋅cm-1	97000
Fluorescence Quantum Yield	0.91
Excitation	628
Emission	642
Storage	24 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	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	487.1337346 g/mol
Monoisotopic Mass	487.1337346 g/mol
Topological Polar Surface Area	74.5Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes