3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-(dipentylamino)cyclohexyl]amino]-3-cyclobutene-1,2-dione CAS 1411983-41-9
| CAS No. | 1411983-41-9 |
| Molecular Formula | C28H37F6N3O2 |
| Molecular Weight | 561.60 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-(dipentylamino)cyclohexyl]amino]-3-cyclobutene-1,2-dione (C28H37F6N3O2) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-(dipentylamino)cyclohexyl]amino]-3-cyclobutene-1,2-dione (CAS 1411983-41-9), molecular formula C28H37F6N3O2 and molecular weight 561.60 g/mol, is a CATO reference standard with documented purity and traceability.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C28H37F6N3O2 |
| Molecular Weight | 561.60 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Bis Standards
- 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dipentylamino)cyclohexyl]amino]-3-cyclobutene-1,2-dione (CAS 1411983-40-8)
- N1-[4-(trifluoromethyl)phenyl]-2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide (CAS 680217-07-6)
- (4-Oxo-3-{[3-(trifluoromethyl)benzoyloxy]methyl}-3,4-dihydro-2H-1-benzothiopyran-3-yl)methyl 3-(trifluoromethyl)benzoate (CAS 338755-74-1)
- 3-(Trifluoromethyl)-N-{3-[4-(3-{[3-(trifluoromethyl)phenyl]formamido}propoxy)phenoxy]propyl}benzamide (CAS 860651-51-0)
- (4-Oxo-3-{[3-(trifluoromethyl)benzoyloxy]methyl}-3,4-dihydro-2H-1-benzopyran-3-yl)methyl 3-(trifluoromethyl)benzoate (CAS 338755-81-0)
- (1-Oxo-2-{[3-(trifluoromethyl)benzoyloxy]methyl}-1,2,3,4-tetrahydronaphthalen-2-yl)methyl 3-(trifluoromethyl)benzoate (CAS 338418-40-9)
- 1-Bis[3-(trifluoromethyl)phenoxy]phosphoryl-4-(3-chlorophenoxy)benzene (CAS 74038-37-2)
- 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((1R,2R)-1,2-diphenyl-2-(pyrrolidin-1-yl)ethyl)amino)cyclobut-3-ene-1,2-dione (CAS 1877323-66-4)
Recommended Standards
- Relugoli Impurity 146 (CAS CATO-C4X-2429146)
- TAK-960 (CAS 1137868-52-0)
- Relugoli Impurity 147 (CAS CATO-C4X-2429147)
- Cefuroxime Impurity 21 (CAS CATO-C4X-124521)
- Methyl 3-amino-5-ethylbenzoate (CAS 1780837-14-0)
- Methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate (CAS 489416-89-9)
- 5-(3-Chlorophenyl)thiazole-2-carbaldehyde (CAS 1269477-36-2)
- Faropenem Impurity 35 (CAS CATO-C4X-128935)
- 3,5-Diisopropylbenzonitrile (CAS 77212-90-9)
- Ethyl 2-cyano-2-(2-(2-nitrophenyl)hydrazono)acetate (CAS 30006-51-0)
- 2-[1-(propan-2-yl)piperidin-4-yl]acetic acid hydrochloride (CAS 609805-55-2)
- Methyl 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propionate (CAS 1309602-05-8)
- DL-5-Hydroxylysine hydrochloride (CAS 13204-98-3)
- Semaglutide impurity 96 (CAS CATO-C4X-222696)
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