N-(3-Chloro-4-fluorophenyl)-2-[(4-{[4-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)phenyl]sulfanyl}phenyl)sulfanyl]acetamide CAS 882079-60-9
| CAS No. | 882079-60-9 |
| Molecular Formula | C28H20Cl2F2N2O2S3 |
| Molecular Weight | 621.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including N-(3-Chloro-4-fluorophenyl)-2-[(4-{[4-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)phenyl]sulfanyl}phenyl)sulfanyl]acetamide.
CATO supplies N-(3-Chloro-4-fluorophenyl)-2-[(4-{[4-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)phenyl]sulfanyl}phenyl)sulfanyl]acetamide (CAS 882079-60-9), a certified reference material (molecular formula C28H20Cl2F2N2O2S3, MW 621.57 g/mol) for analytical method development and quality control.
Structurally, N-(3-Chloro-4-fluorophenyl)-2-[(4-{[4-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)phenyl]sulfanyl}phenyl)sulfanyl]acetamide (C28H20Cl2F2N2O2S3) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 18.0, corresponding to approximately 18 ring(s) or double-bond equivalent(s). With a molecular weight of 621.57 g/mol, it falls into the 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.
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 | C28H20Cl2F2N2O2S3 |
| Molecular Weight | 621.57 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 3 |
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