(S)-4-((1H-Pyrrol-2-yl)methyl)-7-chloro-3-methyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one CAS 258849-92-2
| CAS No. | 258849-92-2 |
| Molecular Formula | C15H16ClN3O |
| Molecular Weight | 289.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies (S)-4-((1H-Pyrrol-2-yl)methyl)-7-chloro-3-methyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one (CAS 258849-92-2), a certified reference material (molecular formula C15H16ClN3O, MW 289.76 g/mol) for analytical method development and quality control.
Structurally, (S)-4-((1H-Pyrrol-2-yl)methyl)-7-chloro-3-methyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one (C15H16ClN3O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 289.76 g/mol, it falls into the medium-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.
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 | C15H16ClN3O |
| Molecular Weight | 289.76 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- (5-(2-Chlorophenyl)furan-2-yl)(piperidin-1-yl)methanone (CAS 618403-08-0)
- 1-(4-Chlorobenzyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine (CAS 890866-56-5)
- (4-nitrobenzoyl)-DL-alanine (CAS 5330-84-7)
- 1-Chloro-3-(naphthalen-1-yl)isoquinoline (CAS 651052-84-5)
- 1,3-Benzenedicarboxylic acid, polymer with 1,6-hexanediol and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS 81506-60-7)
- 3-(((4-Methylpiperidin-1-yl)sulfonyl)methyl)aniline (CAS 1094853-89-0)
- 3-Methyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 54184-80-4)
- Ethyl 6-methoxy-4-[4-(trifluoromethyl)anilino]-3-quinolinecarboxylate (CAS 477847-11-3)
- (1R,2R)-2-(4-Bromothiophen-2-yl)cyclopropane-1-carboxylic acid (CAS 1818257-30-5)
- 2-(3-azabicyclo[3.1.0]hexan-6-yl)acetic acid (CAS 1438270-98-4)
- 1-Cyclohexyl-1-isopropyl-3-(3-(trifluoromethyl)phenyl)urea (CAS 200059-01-4)
- 5-Methyl-3-(pyridin-3-yl)isoxazole (CAS 85903-32-8)
- (6-Chloro-[2,3'-bipyridin]-4-yl)methanol (CAS 1227584-24-8)
- Semaglutide impurity 74 (CAS CATO-C4X-222674)
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