4-(4-tert-Butylphenyl)-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid CAS 331459-69-9
| CAS No. | 331459-69-9 |
| Molecular Formula | C20H21ClO3S |
| Molecular Weight | 376.90 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 4-(4-tert-Butylphenyl)-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid.
4-(4-tert-Butylphenyl)-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid (CAS 331459-69-9), molecular formula C20H21ClO3S and molecular weight 376.90 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(4-tert-Butylphenyl)-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid (C20H21ClO3S) contains a steroid core, a sulfone group, 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 376.90 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C20H21ClO3S |
| Molecular Weight | 376.90 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
Related tert Standards
- 4-(4-tert-Butylphenyl)-2-(7-ethyl-1H-indol-3-yl)-4-oxobutanoic acid (CAS 937604-74-5)
- 4-Butylphenyl 4-(trans-4-propylcyclohexyl)benzoate (CAS 90937-40-9)
- 4-(4-tert-Butylphenyl)-2-[(4-chlorophenyl)amino]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (CAS 1347333-77-0)
- N-(4-Butylphenyl)-3-(5-(2-chlorophenyl)furan-2-yl)acrylamide (CAS 853348-22-8)
- 5-(4-Tert-butylphenyl)-4-(3-chloro-4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 721903-46-4)
- 4-(4-tert-Butylphenyl)-2-{[(4-chlorophenyl)methyl]amino}-4-oxobutanoic acid (CAS 1026778-83-5)
- 7-(4-Butylphenyl)-5,10-dihydroindeno[1,2-b]indole-3-carboxamide (CAS 920302-64-3)
- 4-tert-Butylphenyl 5-(1,2,3-thiadiazol-4-yl)thiophene-2-sulfonate (CAS 338400-14-9)
Recommended Standards
- 3-((3-Chlorobenzyl)thio)-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CAS 439096-38-5)
- W-15 (CAS 93100-99-3)
- 2-Chloro-n-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide (CAS 879319-44-5)
- Capsazepine (CAS 138977-28-3)
- Flurbiprofen Impurity 38 (CAS 26039-74-7)
- 3,4-Dichloro-2-methoxybenzonitrile (CAS 1934505-92-6)
- Tert-butyl 7,12-diazadispiro[2.1.5(5).2(3)]Dodecane-12-carboxylate (CAS 1785367-63-6)
- Belumosudil Impurity N7 (CAS 911419-33-5)
- 4'-Fluoro-2'-nitroacetanilide (CAS 448-39-5)
- 3-(4-Iodophenyl)-1-phenyl-1H-pyrazol-5-amine (CAS 1017781-34-8)
- 1-(3,5-Dimethylphenyl)-3-(5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl)urea (CAS 477713-90-9)
- 2-(2-Fluorobenzyl)-6-phenylpyridazin-3(2H)-one (CAS 898153-25-8)
- (1S)-2,2',3,3'-Tetrahydro-4,4'-diiodo-1,1'-spirobi[1H-indene]-7,7'-diol (CAS 833455-22-4)
- Semaglutide impurity 194 (CAS CATO-C4X-2226194)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com