1-[(4-Chlorophenyl)methyl]-5-methanesulfonyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one CAS 866138-34-3
| CAS No. | 866138-34-3 |
| Molecular Formula | C17H17ClN2O3S |
| Molecular Weight | 364.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1-[(4-Chlorophenyl)methyl]-5-methanesulfonyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one (CAS 866138-34-3), molecular formula C17H17ClN2O3S and molecular weight 364.85 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H17ClN2O3S, 1-[(4-Chlorophenyl)methyl]-5-methanesulfonyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 364.85 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C17H17ClN2O3S |
| Molecular Weight | 364.85 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 1-(4-Chlorobenzenesulfonyl)-N-phenylpyrrolidine-2-carboxamide (CAS 317377-80-3)
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- N-(2-Chlorobenzyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide (CAS 1421445-11-5)
- (2R,3R,4R,5R)-tetrahydro-2H-pyran-2,3,4,5-tetraol (CAS 7296-60-8)
- Pentanedioic-2,2,4,4-d4 Acid (CAS 19136-99-3)
- Tert-butyl (1-(4-chloro-2-formylphenyl)piperidin-3-yl)carbamate (CAS 1228183-71-8)
- Glycylglycyl-N-(4-nitrophenyl)-L-phenylalaninamide (CAS 74569-67-8)
- 2-Chloro-4-(4-methoxyphenyl)-3-phenylquinoline (CAS 37118-70-0)
- 7-(Chloromethyl)-3-(4-chlorophenyl)-5H-thiazolo[3,2-a]pyrimidin-5-one (CAS 100003-85-8)
- 1,2,3,4-Tetrahydro-quinoline-3-carboxylic acid hydrochloride (CAS 1187931-92-5)
- N-Boc-3-ethyl L-Norvaline (CAS 35264-04-1)
- Methyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate (CAS 73039-91-5)
- Tau Peptide (273-284) trifluoroacetate salt (CAS 1663490-91-2)
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