tert-Butyl ((S)-1-(((S)-1-cyclohexyl-2-((S)-2-(4-(4-hydroxybenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)amino)-1-oxopropan-2-yl)(methyl)carbamate CAS 2222354-11-0
| CAS No. | 2222354-11-0 |
| Molecular Formula | C31H42N4O6S |
| Molecular Weight | 598.75 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.
tert-Butyl ((S)-1-(((S)-1-cyclohexyl-2-((S)-2-(4-(4-hydroxybenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)amino)-1-oxopropan-2-yl)(methyl)carbamate (CAS 2222354-11-0), molecular formula C31H42N4O6S and molecular weight 598.75 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, tert-Butyl ((S)-1-(((S)-1-cyclohexyl-2-((S)-2-(4-(4-hydroxybenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)amino)-1-oxopropan-2-yl)(methyl)carbamate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 598.75 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.
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 | C31H42N4O6S |
| Molecular Weight | 598.75 g/mol |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Recommended Standards
- ((2R,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-(p-tolylthio)tetrahydro-2H-pyran-2-yl)methyl acetate (CAS 1941225-54-2)
- (S)-N-((S)-1-Amino-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-((S)-2-amino-3-phenylpropanamido)-4-(methylthio)butanamido)-5-guanidinopentanamide (CAS 64190-70-1)
- Ondansetron EP Impurity B (CAS 1076198-52-1)
- Glicaramide (CAS 36980-34-4)
- 4-Bromomethyl-2-fluoro-5-(trifluoromethyl)pyridine (CAS 1227575-57-6)
- Methyl 3-propylpiperidine-3-carboxylate (CAS 1306739-42-3)
- 4-(Thiophen-2-yl)pyridin-2-ol (CAS 1159819-78-9)
- Dansyl-Gly-Cys-Val-Leu-Ser-OH (CAS 143744-88-1)
- 3-(4-Fluorophenyl)-4-((3-(furan-2-yl)allylidene)amino)-1H-1,2,4-triazole-5(4H)-thione (CAS 675121-45-6)
- 1-(3-(3-Fluorophenyl)isoxazol-5-yl)ethanone (CAS 889938-99-2)
- 2-((6-(Benzo[d][1,3]dioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(2-chloropyridin-3-yl)acetamide (CAS 625378-09-8)
- Ethyl 2-(4-cyano-3-fluorophenyl)-2-oxoacetate (CAS 951888-19-0)
- N1-(4-Methoxy-7-methylbenzo[d]thiazol-2-yl)-N2,N2-dimethylethane-1,2-diamine (CAS 1251544-61-2)
- Neuropeptide Y (2-36), amide, porcine (CAS 102961-52-4)
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