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Chemical structure of BDP 581/591 azide

GC59064

BDP 581/591 azide

Also known as N-(3-azidopropyl)-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]propanamide

BDP 581/591 azide is an azide derivative of BDP 581/591

ChemicalCAS2183473-20-1MW474.31FormulaC25H25N6BF2O
CAS number
2183473-20-1
Molecular weight
474.31
Formula
C25H25N6BF2O
Solubility
good in DCM, alcohols, DMF, DMSO
InChIKey
OHUOEWAPMDBSIO-LUZURFALSA-N
Catalogue number
GC59064
Brand
GLPBIO
Computed properties PubChem CID 131954334 · TPSA 51.4 Ų · H-bond donors 1 · H-bond acceptors 6
TPSA
51.4 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
35

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

Computed descriptors from PubChem (CID 131954334), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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