N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-cyano-[2,3'-bipyridin]-6-yl)thio)acetamide CAS 445383-46-0
| CAS No. | 445383-46-0 |
| Molecular Formula | C22H17N5OS2 |
| Molecular Weight | 431.53 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.
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-cyano-[2,3'-bipyridin]-6-yl)thio)acetamide (CAS 445383-46-0), molecular formula C22H17N5OS2 and molecular weight 431.53 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-cyano-[2,3'-bipyridin]-6-yl)thio)acetamide (C22H17N5OS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 17.0, corresponding to approximately 17 ring(s) or double-bond equivalent(s). With a molecular weight of 431.53 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.
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 | C22H17N5OS2 |
| Molecular Weight | 431.53 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 2 |
Related N Standards
- 1-(4-Cyano-2-(4-(N,N-diethylsulfamoyl)phenyl)oxazol-5-yl)piperidine-4-carboxamide (CAS 941243-13-6)
- N-(1-Cyano-1-cyclopropylethyl)-2-((4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 732997-05-6)
- [cyano-[3-(4-hydroxyphenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (CAS 64691-63-0)
- (E)-2-Cyano-3-(5-((E)-4-(diphenylamino)styryl)furan-2-yl)acrylic acid (CAS 1096712-02-5)
- 2-((3-Cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide (CAS 340818-15-7)
- Ethyl 3-((3-cyano-4-(4-methoxyphenyl)-6-(p-tolyl)pyridin-2-yl)thio)propanoate (CAS 332100-37-5)
- Ethyl 4-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)butanoate (CAS 332101-06-1)
- Ethyl 5-cyano-6-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylpyridine-3-carboxylate (CAS 477866-17-4)
Recommended Standards
- Methyl 4-(2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoate (CAS 618427-61-5)
- N-(4-(2-((3-(N,N-Dimethylsulfamoyl)phenyl)amino)-6H-1,3,4-thiadiazin-5-yl)phenyl)acetamide (CAS 795285-35-7)
- Ethyl 3-(2-((3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoate (CAS 333406-78-3)
- N-(4,6-Dimethylbenzo[d]thiazol-2-yl)-4-(morpholinosulfonyl)benzamide (CAS 306737-27-9)
- 1804413-10-2 3,5-Dibromo-4-(difluoromethoxy)phenylacetic acid (CAS 1804413-10-2)
- Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)acetate (CAS 1802340-06-2)
- 5-Bromo-4-ethylpyridin-3-amine (CAS 1417576-12-5)
- 2-[1-(2-aminobenzoyl)piperidin-2-yl]ethan-1-ol (CAS 953731-11-8)
- Ethyl 3-(1-amino-2,2,2-trifluoroethyl)benzoate (CAS 886368-99-6)
- 3-(Methoxymethyl)cyclobutanone (CAS 1068160-23-5)
- Siponimod Impurity 2 (CAS 957202-29-8)
- 1-Bromo-4-ethoxy-5-fluoro-2-methylbenzene (CAS 2383512-98-7)
- [2,2'-Bipyridin]-6(1H)-one (CAS 101001-90-5)
- [D-Ser8]-Semaglutide A (CAS CATO-C4X-2226116)
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