2-(5-(5-Chloro-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-phenylpropanoic acid CAS 84712-65-2
| CAS No. | 84712-65-2 |
| Molecular Formula | C21H18ClN3O3S2 |
| Molecular Weight | 459.97 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 459.97 g/mol gives 2-(5-(5-Chloro-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-phenylpropanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(5-(5-Chloro-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-phenylpropanoic acid (CAS 84712-65-2), molecular formula C21H18ClN3O3S2 and molecular weight 459.97 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(5-(5-Chloro-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-phenylpropanoic acid (C21H18ClN3O3S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 459.97 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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-(5-(5-Chloro-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-phenylpropanoic 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 | C21H18ClN3O3S2 |
| Molecular Weight | 459.97 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1981 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 1H,1H-Tridecafluoroheptyl Iodide (CAS 212563-43-4)
- 2,5-Dimethyloctahydro-5,8-methanoindolizine (CAS 90307-83-8)
- 3-(3-Aminophenyl)-N-cyclopropylimidazo[1,2-a]pyrazin-8-amine (CAS 787591-29-1)
- n-((3-Ethyl-1-methyl-1h-1,2,4-triazol-5-yl)methyl)aniline (CAS 1341334-70-0)
- 3-(2-Fluorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid (CAS 117319-95-6)
- 2-(6-(Methylamino)-9H-purin-9-yl)acetic acid (CAS 918334-37-9)
- 2-methyl-4H,5H,6H-cyclopenta[b]thiophen-4-amine (CAS 1513420-35-3)
- 2-(Aminomethyl)benzenethiol (CAS 6047-42-3)
- 2-(2-Fluorophenoxy)-N-((1-(thiophen-2-yl)cyclopropyl)methyl)acetamide (CAS 1207059-23-1)
- 4-Chloro-2-(5-methylthiophen-2-yl)pyrimidine (CAS 1155598-46-1)
- Semaglutide impurity 45 (CAS CATO-C4X-222645)
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