4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid CAS 1044598-91-5
| CAS No. | 1044598-91-5 |
| Molecular Formula | C26H31ClN2O2 |
| Molecular Weight | 438.99 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid (CAS 1044598-91-5), a certified reference material (molecular formula C26H31ClN2O2, MW 438.99 g/mol) for analytical method development and quality control.
Structurally, 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid (C26H31ClN2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. 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 438.99 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.
CATO manufactures 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic 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 | C26H31ClN2O2 |
| Molecular Weight | 438.99 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Chlorophenyl Standards
- 4-[4-(3-Chlorophenyl)piperazin-1-yl]-2-phenyl-6-[(propan-2-ylsulfanyl)methyl]pyrimidine (CAS 338961-52-7)
- (E)-[(2-{[(4-chlorophenyl)methyl]sulfanyl}quinolin-3-yl)methylidene]amino thiophene-2-carboxylate (CAS 478065-91-7)
- 4-((4-Chlorophenyl)thio)-2-phenyl-5-(phenylsulfonyl)pyrimidine (CAS 478067-74-2)
- 2-((5-(4-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide (CAS 332922-52-8)
- 2-((4-(4-Chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dihydroxyphenyl)ethanone (CAS 575466-45-4)
- 2-[1-(4-Chlorophenyl)-1H-pyrazole-4-carbonyl]phenyl benzenesulfonate (CAS 956741-35-8)
- Methyl 3-(2-(2-((4-chlorophenyl)amino)-2-oxoacetyl)-1H-pyrrol-1-yl)benzo[b]thiophene-2-carboxylate (CAS 477872-75-6)
- {2-[(2-chlorophenyl)sulfanyl]pyridin-3-yl}methyl N-[3-(trifluoromethyl)phenyl]carbamate (CAS 339278-60-3)
Recommended Standards
- Benzthiazide-d7 (CAS 1794768-22-1)
- 1-Benzyl-3,4-diiodo-1H-pyrrole-2,5-dione (CAS 853649-55-5)
- Pioglitazone impurity 26 (CAS 446052-43-3)
- C-390 (CAS 77769-31-4)
- rac-3-({[(1r,4r)-4-hydroxycyclohexyl]amino}methyl)phenol (CAS 1592539-38-2)
- 1-Ethyl-5-(pyrrolidin-2-yl)-1H-1,2,4-triazole (CAS 1248129-05-6)
- 2-(2-((2,6-Dichloro-4-methoxyphenyl)amino)phenyl)-N,N-dimethylacetamide (CAS 698357-36-7)
- 1-Benzyl 2-methyl (2s,4s)-4-fluoropyrrolidine-1,2-dicarboxylate (CAS 72180-14-4)
- Fenofibrate Impurity 34 (CAS 258834-37-6)
- 3-Formyl-4-nitropyridine 1-oxide (CAS 266353-32-6)
- 3-(7-Fluoro-4-oxoquinolin-1(4H)-yl)propanenitrile (CAS 1315345-24-4)
- 1-Benzyl-3-(4-chlorophenyl)piperazine (CAS 1248907-46-1)
- 2-(5-Amino-2-methyl-1H-imidazol-1-yl)ethanol (CAS 84145-87-9)
- Peptide Impurity 13 (CAS CATO-CPTD788813)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
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