7-Chloro-2-(3-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl)isoindolin-1-one CAS 913064-47-8
| CAS No. | 913064-47-8 |
| Molecular Formula | C29H29ClN4O2 |
| Molecular Weight | 501.02 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 7-Chloro-2-(3-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl)isoindolin-1-one.
7-Chloro-2-(3-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl)isoindolin-1-one (CAS 913064-47-8), molecular formula C29H29ClN4O2 and molecular weight 501.02 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 7-Chloro-2-(3-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl)isoindolin-1-one (C29H29ClN4O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 17.0, corresponding to approximately 17 ring(s) or double-bond equivalent(s). With a molecular weight of 501.02 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.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C29H29ClN4O2 |
| Molecular Weight | 501.02 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Related Chloro Standards
- 8-Chloro-2-phenyl-3-((1S)-1-((9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)amino)ethyl)isoquinolin-1(2H)-one (CAS 1350643-73-0)
- 2-((5-((9-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 116989-80-1)
- N-(4-Chloro-3-nitrophenyl)-2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamide (CAS 332160-37-9)
- (2Z)-3-[(4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}phenyl)amino]-1-(4-methylphenyl)prop-2-en-1-one (CAS 478262-29-2)
- Ethyl 4-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzenesulfonamido)benzoate (CAS 338775-49-8)
- Ethyl 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylate (CAS 321998-78-1)
- 6-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-2-(4-chlorophenyl)pyrrolo[3,4-e][1,3]thiazine-5,7(6H,7aH)-dione (CAS 337920-05-5)
- N-(4-Chloro-2-methoxy-5-methylphenyl)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 476483-99-5)
Recommended Standards
- Fmoc-Lys(Boc)-COCH2Cl (CAS 625090-55-3)
- D-Phe-Phe-Arg Chloromethylketone Trifluoroacetate Salt (CAS 74392-49-7)
- 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide (CAS 332948-45-5)
- KN-93 (CAS 139298-40-1)
- Methyl (2R,5S)-5-(hydroxymethyl)pyrrolidine-2-carboxylate (CAS 2092548-78-0)
- 5-Bromo-N-(1-(tert-butylamino)-1-oxopropan-2-yl)thiophene-2-carboxamide (CAS 1252107-67-7)
- 2,4-Dichloro-6-(pyrrolidin-1-yl)pyrimidine (CAS 154117-92-7)
- tert-Butyl pyrrolidine-3-carboxylate hydrochloride (CAS 1620955-76-1)
- 1-Methylcyclohexyl methacrylate (CAS 76392-14-8)
- 1-(Aminomethyl)-4-chloro-2,3-dihydroinden-1-ol (CAS 1082563-13-0)
- 3-Methyl-6-(trifluoromethyl)imidazo[2,1-b]thiazole-5-carbonitrile (CAS 1823346-57-1)
- 4-Chloro-6-(chloromethyl)pyridin-3-ol (CAS 1393573-87-9)
- 1-Phenyl-4-tosylpiperazine (CAS 4004-96-0)
- Semaglutide impurity 197 (CAS CATO-C4X-2226197)
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