(R,Z)-Methyl 2-(2-bromophenyl)-3-((1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)amino)but-2-enoate CAS 2222357-97-1
| CAS No. | 2222357-97-1 |
| Molecular Formula | C20H26BrF3N2O2 |
| Molecular Weight | 463.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies (R,Z)-Methyl 2-(2-bromophenyl)-3-((1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)amino)but-2-enoate (CAS 2222357-97-1), a certified reference material (molecular formula C20H26BrF3N2O2, MW 463.33 g/mol) for analytical method development and quality control.
Structurally, (R,Z)-Methyl 2-(2-bromophenyl)-3-((1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)amino)but-2-enoate (C20H26BrF3N2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 463.33 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.
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.
Physical & Chemical Properties
| Molecular Formula | C20H26BrF3N2O2 |
| Molecular Weight | 463.33 g/mol |
| Appearance | Off-white to pale 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- N-(4-(2,4-dichlorophenyl)thiazol-2-yl)-2-((3-(trifluoromethyl)phenyl)thio)acetamide (CAS 338957-97-4)
- {4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methyl N-(3,4-dichlorophenyl)carbamate (CAS 320424-10-0)
- 4-[(2Z)-3-(5-Bromo-2-methoxyphenyl)prop-2-enoyl]phenyl (2E)-3-phenylprop-2-enoate (CAS 306730-27-8)
- 5-(3-Bromophenyl)-7-(6-morpholinopyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine (CAS 214697-26-4)
- Gadolinium nitrate hydrate, 99.99% (CAS 10168-81-7)
- N-(2,2-Dichloroacetoxy)-2-(quinolin-8-yloxy)acetimidamide (CAS 88758-78-5)
- Di-tert-butyl(2',4',6'-tricyclohexyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphane (CAS 1352726-19-2)
- n-(4-Bromobenzyl)-1-(thiophen-2-yl)methanamine (CAS 774190-84-0)
- 1-(Thiomorpholin-4-yl)propan-1-one (CAS 1341918-63-5)
- 2-((2-Aminoethyl)amino)isonicotinonitrile (CAS 1016521-67-7)
- (4-(Difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl)methanol (CAS 2639445-09-1)
- Tadalafil Impurity 64 (CAS CATO-C4X-108764)
- 2-(3-Bromo-4-pyridyl)propan-2-ol (CAS 1240605-46-2)
- Semaglutide impurity 272 (CAS CATO-C4X-2226272)
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