(2S)-2-Amino-5-[[(2R)-2-Amino-3-[(E)-1,2-Dichloro-3,3,3-Trifluoroprop-1-Enyl]Sulfanylpropanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid CAS 122652-97-5
| CAS No. | 122652-97-5 |
| Molecular Formula | C13H16Cl2F3N3O6S |
| Molecular Weight | 470.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 470.25 g/mol gives (2S)-2-Amino-5-[[(2R)-2-Amino-3-[(E)-1,2-Dichloro-3,3,3-Trifluoroprop-1-Enyl]Sulfanylpropanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies (2S)-2-Amino-5-[[(2R)-2-Amino-3-[(E)-1,2-Dichloro-3,3,3-Trifluoroprop-1-Enyl]Sulfanylpropanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid (CAS 122652-97-5), a certified reference material (molecular formula C13H16Cl2F3N3O6S, MW 470.25 g/mol) for analytical method development and quality control.
Structurally, (2S)-2-Amino-5-[[(2R)-2-Amino-3-[(E)-1,2-Dichloro-3,3,3-Trifluoroprop-1-Enyl]Sulfanylpropanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid (C13H16Cl2F3N3O6S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 470.25 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C13H16Cl2F3N3O6S |
| Molecular Weight | 470.25 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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