2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetohydrazide CAS 893727-18-9
| CAS No. | 893727-18-9 |
| Molecular Formula | C18H17ClN4O2S2 |
| Molecular Weight | 420.94 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetohydrazide (CAS 893727-18-9), molecular formula C18H17ClN4O2S2 and molecular weight 420.94 g/mol, is a CATO reference standard with documented purity and traceability.
2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetohydrazide (C18H17ClN4O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
Physical & Chemical Properties
| Molecular Formula | C18H17ClN4O2S2 |
| Molecular Weight | 420.94 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Related chlorophenyl Standards
- Methyl 2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate (CAS 613227-82-0)
- {4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}methyl N-cyclohexylcarbamate (CAS 320424-17-7)
- 1-[(2-Chlorophenyl)methyl]-3'-phenyl-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione (CAS 338418-98-7)
- 1-[(3-Chlorophenyl)methyl]-3'-phenyl-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione (CAS 338419-06-0)
- 2-(4-Chlorophenyl)-3-((4-(2-fluorophenyl)piperazin-1-yl)methyl)imidazo[1,2-a]pyridine (CAS 338401-78-8)
- N-(4-Chlorophenyl)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 328020-51-5)
- 4-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-6-(phenylsulfanyl)pyrimidine (CAS 303147-11-7)
- 5-(4-Chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1H-1,2,4-triazol-1-yl)cyclohexane-1,3-dione (CAS 1005068-84-7)
Recommended Standards
- 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-4-methoxyphenyl)acetamide (CAS 587012-11-1)
- 2-((Benzylthio)methyl)-7-chloro-3-(3,5-dimethylphenyl)quinazolin-4(3H)-one (CAS 338966-11-3)
- 6-Chloro-2-(((3,5-dimethylphenyl)thio)methyl)-3-(o-tolyl)quinazolin-4(3H)-one (CAS 866049-02-7)
- DL-ascofuranone (CAS 86832-77-1)
- BU-E 75 (CAS 114667-74-2)
- 6-Bromo-4-chloro-7-methylquinoline (CAS 1189106-57-7)
- 4-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylphenyl)pyrrolidin-2-one (CAS 1170117-98-2)
- 6-Benzyloxy-4-chloro-7-methoxyquinazoline (CAS 286371-65-1)
- 1-Ethyl-2,4,5-trimethyl-1H-pyrazol-3(2H)-one (CAS 53091-83-1)
- 5-Bromo-6-methyl-2-naphthoic acid (CAS 860650-56-2)
- (E)-1,1'-(Prop-1-ene-1,3-diyl)bis(1H-benzo[d][1,2,3]triazole) (CAS 187095-18-7)
- 2,4-Dimethyl-N-(propan-2-yl)aniline (CAS 260432-86-8)
- 3-Oxo-4-(4-chlorophenyl)butanoyl chloride (CAS 1987320-77-3)
- Semaglutide impurity 248 (CAS CATO-C4X-2226248)
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