4-(((3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)benzoic acid CAS 497243-86-4
| CAS No. | 497243-86-4 |
| Molecular Formula | C20H20N2O2S |
| Molecular Weight | 352.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 352.45 g/mol gives 4-(((3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 4-(((3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)benzoic acid (CAS 497243-86-4), a certified reference material (molecular formula C20H20N2O2S, MW 352.45 g/mol) for analytical method development and quality control.
Structurally, 4-(((3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)benzoic acid (C20H20N2O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 352.45 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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), 4-(((3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)benzoic acid 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 | C20H20N2O2S |
| Molecular Weight | 352.45 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Cyano Standards
- Methyl 2-((4-cyano-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)acetate (CAS 861209-23-6)
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Recommended Standards
- 3,5-Dimethylphenyl 5-(1,2,3-thiadiazol-4-yl)thiophene-2-sulfonate (CAS 338400-21-8)
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- 3,5-Bis(4-methoxybenzylidene)dihydro-2H-thiopyran-4(3H)-one (CAS 61448-77-9)
- 4-(2-Hydroxyethyl)-5-methyl-1-((2,3,4,5,6-pentamethylphenyl)sulfonyl)-1,2-dihydro-3H-pyrazol-3-one (CAS 861207-39-8)
- Benzyl 3-(((S)-2-amino-N-isopropylpropanamido)methyl)piperidine-1-carboxylate (CAS 1354029-68-7)
- 6-Methoxy-1-(phenylsulfonyl)-1H-indole (CAS 56995-13-2)
- Methyl 4,6-diaminonicotinate (CAS 1379106-14-5)
- 2,5-Bis(methacryloyloxy)terephthalic acid (CAS 1809815-85-7)
- 3,5-Dimethylthiophen-2-amine (CAS 2090079-28-8)
- Methyl 8-hydroxyindolizine-7-carboxylate (CAS 1467669-04-0)
- 6-(Chloromethyl)nicotinaldehyde (CAS 1196154-24-1)
- tert-Butyl 5-(hydroxymethyl)-2-methoxybenzoate (CAS 2924465-58-5)
- 3-(3-Methoxyphenyl)isonicotinic acid (CAS 100004-80-6)
- Calcitonin N-Terminal Flanking Peptide (human) (CAS 118277-01-3)
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