BDP 650/665 DBCO

Product Introduction

BDP 650/665 is a bright far-red-fluorescent dye that is similar to BODIPY™ 650/665 and Cy™5 by its spectral characteristics. This high quantum yield dye is relatively non-sensitive to solvent polarity and pH changes.,Due to its significant hydrophobic properties, BDP 650/665 can be used for staining membranes, lipids, and other lipophilic compounds.,DBCO, a substituting group introduced in this molecule, is a dibenzocyclooctyne that is commonly used in copper-free Click Chemistry reactions. BDP 650/665 DBCO can react with various functionalized azides (rapidly and without specialized Cu(I) catalysts) resulting in stable dye-biomolecule conjugates.

Chemical Information
Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	N-[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]-2-[4-[(E)-2-[2,2-difluoro-12-(1H-pyrrol-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]acetamide
Canonical SMILES	[B-]1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)NCCCCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64)C=C7[N+]1=C(C=C7)C8=CC=CN8)(F)F
InChI	InChI=1S/C44H38BF2N5O3/c46-45(47)51-36(21-22-37(51)29-38-23-26-42(52(38)45)40-12-8-28-48-40)20-15-32-16-24-39(25-17-32)55-31-43(53)49-27-7-1-2-14-44(54)50-30-35-11-4-3-9-33(35)18-19-34-10-5-6-13-41(34)50/h3-6,8-13,15-17,20-26,28-29,48H,1-2,7,14,27,30-31H2,(H,49,53)/b20-15+
InChI Key	SMLANKIREOERQG-HMMYKYKNSA-N
Solubility	Good in DMF, DMSO, dichloromethane
Appearance	Dark blue crystals

Computed Properties
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	733.3035766 g/mol
Monoisotopic Mass	733.3035766 g/mol
Topological Polar Surface Area	82.4Ų
Heavy Atom Count	55
Formal Charge	0
Complexity	1610
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