Methyl 2-{[1-(4-bromophenyl)-4-cyano-5H,6H,7H-cyclopenta[c]pyridin-3-yl]sulfanyl}acetate CAS 439096-27-2
| CAS No. | 439096-27-2 |
| Molecular Formula | C18H15BrN2O2S |
| Molecular Weight | 403.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of Methyl 2-{[1-(4-bromophenyl)-4-cyano-5H,6H,7H-cyclopenta[c]pyridin-3-yl]sulfanyl}acetate (C18H15BrN2O2S) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
Methyl 2-{[1-(4-bromophenyl)-4-cyano-5H,6H,7H-cyclopenta[c]pyridin-3-yl]sulfanyl}acetate (CAS 439096-27-2), molecular formula C18H15BrN2O2S and molecular weight 403.29 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C18H15BrN2O2S |
| Molecular Weight | 403.29 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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- 2-Hydroxy-4-(pyrrolidin-1-yl)benzaldehyde (CAS 74427-40-0)
- 3-Amino-4-chlorobenzyl bromide (CAS 1261666-60-7)
- 1-(4-(3,3-Difluorocyclobutyl)phenyl)ethanone (CAS 1546395-07-6)
- Methyl 7-bromobenzo[d]oxazole-2-carboxylate (CAS 954239-78-2)
- 2-(Difluoromethyl)-5-methoxypyridine-3-sulfonamide (CAS 1806771-70-9)
- 4-(Difluoromethyl)-6-fluoro-2-methoxynicotinoyl chloride (CAS 1805461-73-7)
- Robinin (CAS 301-19-9)
- 6-((4-Methoxyphenyl)thio)-1H-purine (CAS 646510-08-9)
- Peptide YY (human) trifluoroacetate salt (CAS 118997-30-1)
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