2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide CAS 790288-44-7
| CAS No. | 790288-44-7 |
| Molecular Formula | C17H19ClN4OS3 |
| Molecular Weight | 427.01 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-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide.
2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide (CAS 790288-44-7), molecular formula C17H19ClN4OS3 and molecular weight 427.01 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide (C17H19ClN4OS3) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 427.01 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C17H19ClN4OS3 |
| Molecular Weight | 427.01 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 3 |
Related Chlorobenzyl Standards
- 1-(4-Chlorobenzyl)-4-(2,4-difluorobenzoyl)-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (CAS 317822-43-8)
- 1,3-Bis(4-chlorobenzyl)-2-(4-methoxyphenyl)imidazolidine (CAS 5428-35-3)
- 5-(4-((2-Chlorobenzyl)oxy)-3-iodophenyl)-1,3,4-oxadiazol-2-amine (CAS 1706445-19-3)
- 5-(4-((4-Chlorobenzyl)oxy)-3-iodophenyl)-1,3,4-oxadiazol-2-amine (CAS 1706445-23-9)
- 3-((2-Chlorobenzyl)thio)-5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazole (CAS 443738-33-8)
- 3-((3-Chlorobenzyl)thio)-5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazole (CAS 477332-59-5)
- 3-((4-Chlorobenzyl)sulfonyl)-N-(4-chlorophenyl)thiophene-2-carboxamide (CAS 251097-10-6)
- (E)-5-((2-chlorobenzyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2-chloroacetyl) oxime (CAS 321553-34-8)
Recommended Standards
- Etodroxizine-d8 (CAS 1794941-58-4)
- 1,1'-(Bromomethylene)Bis[2,3,4,5,6-Pentafluorobenzene] (CAS 5736-49-2)
- n-[2,6-bis(propan-2-yl)phenyl]-2-chloro-n-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CAS 727983-28-0)
- N-(5-bromopyridin-2-yl)-N-(3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl)formamide (CAS 652965-63-4)
- Fmoc-D-Cys-D-Cys-OH (CAS CATO-CPTD788735)
- Methyl 2-amino-1-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 433706-93-5)
- 2-Chloro-N-ethyl-N-(1-methyl-pyrrolidin-3-ylmethyl)-acetamide (CAS 1354000-44-4)
- 6-Chloro-2-(furan-2-yl)-3-hydroxy-4H-chromen-4-one (CAS 24933-96-8)
- 3-Fluoro-4-formylphenylboronic Acid Pinacol Ester (CAS 503176-50-9)
- Imidazo[1,2-a]pyridine-5-carboxylic Acid (CAS 479028-72-3)
- (S)-2-Amino-6,6,6-trifluorohexanoic acid (CAS 120200-05-7)
- 4-chloro-2-(1-methylpropyl)-Pyrimidine (CAS 1249928-89-9)
- 1-(4-Chloro-3-(trifluoromethyl)phenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 1799-70-8)
- Des-Ser39-Tirzepatide (CAS CATO-CPTD788936)
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