2-[[(4-Cyano-1,5-dihydro-1-oxopyrido[1,2-a]benzimidazol-3-yl)methyl]thio]propanoic acid CAS 568567-39-5
| CAS No. | 568567-39-5 |
| Molecular Formula | C16H13N3O3S |
| Molecular Weight | 327.36 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 2-[[(4-Cyano-1,5-dihydro-1-oxopyrido[1,2-a]benzimidazol-3-yl)methyl]thio]propanoic acid.
2-[[(4-Cyano-1,5-dihydro-1-oxopyrido[1,2-a]benzimidazol-3-yl)methyl]thio]propanoic acid (CAS 568567-39-5), molecular formula C16H13N3O3S and molecular weight 327.36 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-[[(4-Cyano-1,5-dihydro-1-oxopyrido[1,2-a]benzimidazol-3-yl)methyl]thio]propanoic acid (C16H13N3O3S) 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 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 327.36 g/mol, it falls into the moderately-high-molecular-weight range. 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 2-[[(4-Cyano-1,5-dihydro-1-oxopyrido[1,2-a]benzimidazol-3-yl)methyl]thio]propanoic acid 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 | C16H13N3O3S |
| Molecular Weight | 327.36 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.) | 1984 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 2-((5-(3-(4-Fluorophenyl)ureido)-1,3,4-thiadiazol-2-yl)thio)acetamide (CAS 886935-11-1)
- 4-Cyclopropoxy-3-isopropylpyridine (CAS 1243345-02-9)
- 1,14-Di(oxiran-2-yl)tetradecane (CAS 6624-26-6)
- Methyl (E)-2-(4-(4-chlorophenyl)piperazin-1-yl)-4-(((dimethylamino)methylene)amino)thiazole-5-carboxylate (CAS 343375-63-3)
- 6,7-Dibromo-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CAS 2173992-47-5)
- 4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine (CAS 929974-23-2)
- 4-[2-(Methylsulfanyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CAS 383146-87-0)
- 2′-Chloro-5′-methoxy[1,1′-biphenyl]-3-carbonitrile (CAS 1365271-89-1)
- 4-(tert-butyl)-1-methoxy-2-methylbenzene (CAS 31040-84-3)
- 5-Bromo-7-hydroxy-1,3-dimethylquinolin-2(1H)-one (CAS 2763823-93-2)
- Palmitoyl Tripeptide -5 · 2 TFA (CAS 623172-56-5)
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