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Chemical structure of BDP 581/591 alkyne

GC59050

BDP 581/591 alkyne

Also known as 3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]-N-prop-2-ynylpropanamide

BDP 581/591 alkyne is a moderately hydrophobic borondipyrromethene fluorophore

ChemicalCAS2006345-34-0MW429.27FormulaC25H22N3BF2O
CAS number
2006345-34-0
Molecular weight
429.27
Formula
C25H22N3BF2O
Solubility
good in DCM, DMF, DMSO
InChIKey
OLFSHALJABVHGP-JMQWPVDRSA-N
Catalogue number
GC59050
Brand
GLPBIO
Computed properties PubChem CID 131954327 · TPSA 37 Ų · H-bond donors 1 · H-bond acceptors 4
TPSA
37 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32

SMILES [B-]1(N2C(=CC=C2CCC(=O)NCC#C)C=C3[N+]1=C(C=C3)/C=C/C=C/C4=CC=CC=C4)(F)F

Computed descriptors from PubChem (CID 131954327), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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