Methyl 4-chloro-2-(2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamido)benzoate CAS 674800-41-0
| CAS No. | 674800-41-0 |
| Molecular Formula | C21H20ClN3O3S |
| Molecular Weight | 429.92 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 Methyl 4-chloro-2-(2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamido)benzoate.
Methyl 4-chloro-2-(2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamido)benzoate (CAS 674800-41-0) is a high-purity analytical reference standard with the molecular formula C21H20ClN3O3S and a molecular weight of 429.92 g/mol.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, Methyl 4-chloro-2-(2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamido)benzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 429.92 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C21H20ClN3O3S |
| Molecular Weight | 429.92 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- 4-Chloro-3-(N-(2,5-dimethylphenyl)sulfamoyl)-N-(pyridin-2-ylmethyl)benzamide (CAS 827013-98-9)
- 4-Chloro-N'-methyl-N'-(4-methyl-3-(methylsulfonyl)-6-phenylpyridin-2-yl)benzohydrazide (CAS 303986-74-5)
- Methyl 4-{[(3-chloro-2-methylphenyl)(phenylsulfonyl)amino]methyl}benzoate (CAS 591744-38-6)
- 4-Chloro-2-(3-(phenylthio)phenyl)quinoline-6-sulfonyl fluoride (CAS 31242-01-0)
- N-[5-Chloro-2-[(1E)-3-[(2R)-4-[(4-Fluorophenyl)Methyl]-2-Methyl-1-Piperazinyl]-3-Oxo-1-Propen-1-Yl]Phenyl]-Acetamide (CAS 685534-25-2)
- 9-(4''-Chloro-[1,1':4',1''-terphenyl]-4-yl)-9H-carbazole (CAS 1663490-99-0)
- 2-Chloro-N-cyclohexyl-N-(2-((2-methyl-5-nitrophenyl)amino)-2-oxoethyl)benzamide (CAS 332156-69-1)
- 4-Chloro-N-cyclohexyl-N-(2-((2-methyl-5-nitrophenyl)amino)-2-oxoethyl)benzamide (CAS 332156-68-0)
Recommended Standards
- N-Benzyl-4-chloro-N-{[4-(hydrazinecarbonyl)phenyl]methyl}benzene-1-sulfonamide (CAS 721416-43-9)
- Methyl 4-[(n-benzyl4-chlorobenzenesulfonamido)methyl]benzoate (CAS 869775-77-9)
- Ticagrelor Impurity 32 (CAS 376608-75-2)
- 4'-(Tribromomethyl)-[1,1'-biphenyl]-2-carbonitrile (CAS 876063-64-8)
- (R)-3-Iodo-2-methylpropanoic acid (CAS 143317-45-7)
- 5-(4-Bromophenyl)-1-(o-tolyl)-1h-imidazole-2-thiol (CAS 1105190-06-4)
- 5-(1,3-Dimethyl-1h-pyrazol-4-yl)isoxazole-3-carboxylic acid (CAS 956369-25-8)
- 5,5'-Disulfanediylbis(4-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine) (CAS 175669-17-7)
- 2-(2,4-Dimethoxyphenyl)isonicotinic acid (CAS 1258612-81-5)
- 2-(Chloromethyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole (CAS 36770-19-1)
- 1-(4-(tert-Butyl)benzyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazine (S)-5-oxopyrrolidine-2-carboxylate (CAS 93963-66-7)
- Fmoc-N,N-dimethyl-L-Asparagine (CAS 138585-02-1)
- (2S,2'S,3S,3'S)-DI-iPr-BABIBOP (CAS 2207601-12-3)
- Neuropeptide Y (13-36) (human, rat) (CAS 122341-40-6)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com