Cyclobutenediylium, 1-[(5-carboxy-1,3-dihydro-3,3-dimethyl-1-octyl-2H-indol-2-ylidene)methyl]-3-[(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)methyl]-2,4-dihydroxy-, bis(inner salt) CAS 951248-19-4
| CAS No. | 951248-19-4 |
| Molecular Formula | C37H46N2O4 |
| Molecular Weight | 582.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Cyclobutenediylium, 1-[(5-carboxy-1,3-dihydro-3,3-dimethyl-1-octyl-2H-indol-2-ylidene)methyl]-3-[(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)methyl]-2,4-dihydroxy-, bis(inner salt) (C37H46N2O4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 582.77 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Cyclobutenediylium, 1-[(5-carboxy-1,3-dihydro-3,3-dimethyl-1-octyl-2H-indol-2-ylidene)methyl]-3-[(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)methyl]-2,4-dihydroxy-, bis(inner salt) (CAS 951248-19-4) is a high-purity analytical reference standard with the molecular formula C37H46N2O4 and a molecular weight of 582.77 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C37H46N2O4 |
| Molecular Weight | 582.77 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 2 |
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