2-(5-(3-(5-Carboxypentyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium CAS 1449661-34-0
| CAS No. | 1449661-34-0 |
| Molecular Formula | C41H44N2O2 |
| Molecular Weight | 596.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(5-(3-(5-Carboxypentyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(5-(3-(5-Carboxypentyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium (CAS 1449661-34-0), molecular formula C41H44N2O2 and molecular weight 596.80 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, 2-(5-(3-(5-Carboxypentyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 596.80 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C41H44N2O2 |
| Molecular Weight | 596.80 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) | 21.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Nitrogen Atoms | 2 |
Related Carboxypentyl Standards
- 2-(3-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate (CAS 1121756-11-3)
- 3-(5-Carboxypentyl)-2-(3-(3-(5-carboxypentyl)-5-sulfobenzo[d]oxazol-2(3H)-ylidene)prop-1-en-1-yl)benzo[d]oxazol-3-ium-5-sulfonate (CAS 185397-55-1)
- 2-(7-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate (CAS 1251915-04-4)
- (E)-1-(5-carboxypentyl)-4-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)vinyl)pyridin-1-ium-3-sulfonate (CAS 540528-09-4)
- 4-(2-(5-(3-(5-Carboxypentyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate (CAS 251102-88-2)
- 4-(2-(3-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)butane-1-sulfonate (CAS 146397-18-4)
- 4-((1-Carboxypentyl)oxy)-2-hydroxy-5-((2-(trifluoromethoxy)phenyl)ethynyl)benzoic acid (CAS 1772609-48-9)
- 3-(5-Carboxypentyl)-1,1,2-trimethyl-1H-benzo[e]indol-3-ium-7-sulfonate (CAS 198422-86-5)
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- 26-Hydroxy-3,6,9,12,15,18,21,24-octaoxahexacosyl dodecanoate (CAS 106-08-1)
- Evocalcet Impurity 74 (CAS CATO-C4X-248574)
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- 3-(1-Methylpiperidin-4-yl)-1H-indol-5-amine dihydrochloride (CAS 203710-09-2)
- 4-amino-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde (CAS 1443531-65-4)
- 2-(Difluoromethyl)-4-fluoro-3-nitropyridine-6-carboxaldehyde (CAS 1805985-80-1)
- (S)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoic acid (CAS 402958-96-7)
- 2-(Methylthio)-5-(phenylthio)pyrimidine-4-carboxylic acid (CAS 61727-07-9)
- Semaglutide impurity 193 (CAS CATO-C4X-2226193)
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