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Chemical structure of BDP 558/568 NHS ester

GC59056

BDP 558/568 NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 3-(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)propanoate

BDP 558/568 NHS ester is a borondipyrromethene fluorophore with emission in the yellow part of the spectrum

ChemicalCAS150173-73-2MW443.23FormulaC20H16N3BF2O4S
CAS number
150173-73-2
Molecular weight
443.23
Formula
C20H16N3BF2O4S
Solubility
good in DMF, DMSO, ethyl acetate
InChIKey
DPIQWSPHMYACPD-UHFFFAOYSA-N
Catalogue number
GC59056
Brand
GLPBIO
Computed properties PubChem CID 131954338 · TPSA 99.9 Ų · H-bond donors 0 · H-bond acceptors 8
TPSA
99.9 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
31

SMILES [B-]1(N2C(=CC=C2CCC(=O)ON3C(=O)CCC3=O)C=C4[N+]1=C(C=C4)C5=CC=CS5)(F)F

Computed descriptors from PubChem (CID 131954338), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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