2-((2-((4-Chlorophenyl)sulfonyl)ethyl)thio)-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile CAS 625368-12-9
| CAS No. | 625368-12-9 |
| Molecular Formula | C22H20ClN3O2S3 |
| Molecular Weight | 490.06 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-((2-((4-Chlorophenyl)sulfonyl)ethyl)thio)-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-((2-((4-Chlorophenyl)sulfonyl)ethyl)thio)-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CAS 625368-12-9) is a high-purity analytical reference standard with the molecular formula C22H20ClN3O2S3 and a molecular weight of 490.06 g/mol.
Structurally, 2-((2-((4-Chlorophenyl)sulfonyl)ethyl)thio)-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (C22H20ClN3O2S3) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 490.06 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-((2-((4-Chlorophenyl)sulfonyl)ethyl)thio)-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C22H20ClN3O2S3 |
| Molecular Weight | 490.06 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 3 |
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Recommended Standards
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