Isopropyl 2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetate CAS 445384-85-0
| CAS No. | 445384-85-0 |
| Molecular Formula | C16H20N2O2S |
| Molecular Weight | 304.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Isopropyl 2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetate (CAS 445384-85-0), molecular formula C16H20N2O2S and molecular weight 304.41 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Isopropyl 2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetate (C16H20N2O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 304.41 g/mol, it falls into the moderately-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.
CATO manufactures Isopropyl 2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H20N2O2S |
| Molecular Weight | 304.41 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Isopropyl Standards
- Isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate (CAS 625372-00-1)
- 2-(2-((Benzyl(isopropyl)amino)methyl)piperidin-1-yl)acetic acid (CAS 1353951-51-5)
- Benzyl isopropyl(2-(methylamino)cyclohexyl)carbamate (CAS 1353953-55-5)
- 2-(4-((Benzyl(isopropyl)amino)methyl)piperidin-1-yl)acetic acid (CAS 1353955-60-8)
- 2-((2-(Benzyl(isopropyl)amino)cyclohexyl)amino)acetic acid (CAS 1353957-91-1)
- 2-((4-(Benzyl(isopropyl)amino)cyclohexyl)amino)acetic acid (CAS 1353964-32-5)
- Benzyl isopropyl(4-(methylamino)cyclohexyl)carbamate (CAS 1353971-75-1)
- 2-(3-((Benzyl(isopropyl)amino)methyl)piperidin-1-yl)acetic acid (CAS 1353976-27-8)
Recommended Standards
- Isobutyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 608492-37-1)
- Dicyclohexyl(4-methoxyphenyl)phosphane (CAS 40438-63-9)
- Methyl 4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 313960-57-5)
- 6-(sec-Butoxy)-2-((3,5-dimethylphenyl)thio)pyrimidin-4(3H)-one (CAS 284681-66-9)
- 5-Bromoisophthalaldehyde (CAS 120173-41-3)
- (3Z)-3-({[4-(trifluoromethoxy)phenyl]amino}methylidene)-1,3-dihydro-2-benzofuran-1-one (CAS 339023-39-1)
- 3-(1H-imidazol-5-yl)benzaldehyde (CAS 179056-81-6)
- 6'-(3-Ethylureido)-[3,3'-bipyridine]-5-carboxylic acid (CAS 1031428-69-9)
- 1,1-Difluorospiro[2.3]Hexan-5-amine (CAS 1955540-33-6)
- 7-Ethoxy-3,7-dimethyloct-1-yn-3-ol (CAS 2154-14-5)
- (2-methoxypyridin-3-yl)methanol (CAS 112197-16-7)
- 5,11-Dihydro-4,8-dihydroxyindolo[3,2-b]carbazole-6-carboxaldehyde (CAS 549548-27-8)
- 5-((4-Nitro-1h-pyrazol-1-yl)methyl)furan-2-carbohydrazide (CAS 387344-74-3)
- Semaglutide Impurity 12 (CAS CATO-C4X-222612)
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