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Chemical structure of IR-825

GB62242

IR-825

Also known as 4-[[(2Z)-2-[(2E)-2-[3-[(E)-2-[3-[(4-carboxyphenyl)methyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]methyl]benzoic acid bromide

IR-825 is a near-infrared dye (NIR)

ChemicalCAS1558079-49-4MW904.342FormulaC54H48BrClN2O4
CAS number
1558079-49-4
Molecular weight
904.342
Formula
C54H48BrClN2O4
Solubility
Soluble in DMSO
InChIKey
BAUXJOQQUWDIAO-UHFFFAOYSA-N
Catalogue number
GB62242
Brand
GLPBIO
Computed properties PubChem CID 137256670 · TPSA 80.9 Ų · H-bond donors 2 · H-bond acceptors 6
TPSA
80.9 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
62

SMILES CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CC4=CC=C(C=C4)C(=O)O)/C=C/C5=C(/C(=C/C=C\6/C(C7=C(N6CC8=CC=C(C=C8)C(=O)O)C=CC9=CC=CC=C97)(C)C)/CCC5)Cl)C.[Br-]

Computed descriptors from PubChem (CID 137256670), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
Quoted in ILS, excl. VAT. Add the item to your quote and we confirm the final price, usually the same business day.
Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.