6-{4-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene CAS 1112429-08-9
| CAS No. | 1112429-08-9 |
| Molecular Formula | C26H26ClN5O2 |
| Molecular Weight | 475.97 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 6-{4-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
CATO supplies 6-{4-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene (CAS 1112429-08-9), a certified reference material (molecular formula C26H26ClN5O2, MW 475.97 g/mol) for analytical method development and quality control.
Structurally, 6-{4-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene (C26H26ClN5O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 475.97 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.
Physical & Chemical Properties
| Molecular Formula | C26H26ClN5O2 |
| Molecular Weight | 475.97 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
Related chlorophenyl Standards
- (2Z)-3-[4-(4-Chlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]-2-(3,4-dimethoxyphenyl)prop-2-enenitrile (CAS 383147-95-3)
- 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole (CAS 338401-66-4)
- 2-(2-(((4-Chlorophenyl)thio)methyl)-1H-benzo[d]imidazol-1-yl)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 339100-98-0)
- 2-(2-{[(2-chlorophenyl)sulfanyl]methyl}-1H-1,3-benzodiazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 339101-13-2)
- 4-{[(2-chlorophenyl)methanesulfonyl]methyl}-1-[3-(trifluoromethyl)benzoyl]piperidin-4-ol (CAS 866019-53-6)
- 5-((4-Chlorophenyl)thio)-4-((2,6-dichlorophenoxy)methyl)-1-methyl-3-phenyl-1H-pyrazole (CAS 318248-34-9)
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Recommended Standards
- 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide (CAS 578718-77-1)
- TG 100572 (CAS 867334-05-2)
- Ticagrelor impurity 166 (CAS CATO-C4X-1093166)
- Avanafil Impurity 100 (CAS CATO-C4X-1118100)
- 3-chloro-4-(trifluoromethoxy)aniline 4-Amino-2-chloro-alpha,alpha,alpha-trifluoroanisole 64628-73-5 (CAS 64628-73-5)
- Siomycin A (CAS 12656-09-6)
- 2,4-Dichloro-1-(3-chloropropyl)benzene (CAS 72506-10-6)
- Tert-butyl 8-oxo-2,6,9-triazaspiro[4.6]undecane-2-carboxylate (CAS 2490705-14-9)
- 4-(Chloromethyl)aniline (CAS 65581-19-3)
- (3-(Trifluoromethoxy)cyclohexyl)methanamine (CAS 2231673-73-5)
- 3-(3-Pyridyl)-1-propanol Hydrochloride (CAS 211322-24-6)
- (4-Amino-6-(difluoromethyl)-5-nitropyridin-2-yl)methanol (CAS 1805367-99-0)
- 2-(3-Methylpiperidin-1-yl)acetic acid hydrochloride (CAS 1185294-82-9)
- Des-Val23-Tirzepatide (CAS CATO-CPTD788950)
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