rel-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4r)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,4-dihydroisoquinolin-3(2H)-one CAS 1313363-86-8
| CAS No. | 1313363-86-8 |
| Molecular Formula | C38H47ClN4O4 |
| Molecular Weight | 659.26 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 rel-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4r)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,4-dihydroisoquinolin-3(2H)-one.
rel-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4r)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,4-dihydroisoquinolin-3(2H)-one (CAS 1313363-86-8) is a high-purity analytical reference standard with the molecular formula C38H47ClN4O4 and a molecular weight of 659.26 g/mol.
Structurally, rel-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4r)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,4-dihydroisoquinolin-3(2H)-one (C38H47ClN4O4) 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 17.0, corresponding to approximately 17 ring(s) or double-bond equivalent(s). With a molecular weight of 659.26 g/mol, it falls into the high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C38H47ClN4O4 |
| Molecular Weight | 659.26 g/mol |
| 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.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Related rel Standards
- (S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,4-dihydroisoquinolin-3(2H)-one (CAS 1313363-54-0)
- 2,2'-Bis(2-chlorophenyl)-4,4',5,5'-tetraphenyl-1,1'-biimidazole (CAS 1707-68-2)
- 2-(2-Chlorophenyl)-4,5-diphenylimidazole-1,2＇-dimer (CAS 7189-82-4)
- 4-Chlorophenyl-2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside (CAS 5041-92-9)
- N-[(3-Chlorophenyl)methyl]-N-(2-{N-[(3-chlorophenyl)methyl]4-methoxybenzenesulfonamido}ethyl)-4-methoxybenzene-1-sulfonamide (CAS 338775-09-0)
- 1-(2-Chlorophenyl)pyrrolidine-2,5-dione (CAS 7402-22-4)
- (E)-1-(4-chlorophenyl)-2-phenyl-4-(p-tolylthio)-6,7-dihydro-1H-indole-5-carbaldehyde O-(2,3-dichlorobenzoyl) oxime (CAS 478033-28-2)
- (2S)-3-{4-[(2-chlorophenyl)diphenylmethoxy]phenyl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid (CAS 350241-80-4)
Recommended Standards
- Avatrombopag Impurity 45 (CAS CATO-C4X-223445)
- (S)-2-(tert-Butoxy)-2-(7-(4-chlorophenyl)-5-methyl-2-(1-methyl-3-(1-(oxetan-3-yl)piperidin-4-yl)-1H-indazol-5-yl)benzo[d]thiazol-6-yl)acetic acid (CAS 2219362-41-9)
- (2R,3R,4R,5R)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxy-tetrahydrofuran (CAS 163759-40-8)
- (S)-tert-Butyl 3-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)-4-[[3-(4-chlorobenzoyl)-4,5-dimethylthien-2-yl]amino]-4-oxobutanoate (CAS 1268524-65-7)
- 1-Ethyl-4-nitro-1H-pyrazole-5-carbonyl chloride (CAS 1199215-97-8)
- 6-(Thiophen-2-yl)-4,5-dihydropyridazin-3(2H)-one (CAS 52240-00-3)
- Ethyl 5-Methyloxazole-2-carboxylate (CAS 33123-68-1)
- 326495-33-4 (2R)-2,3-Bis(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)(~2~H_4_)ethyl phosphate DTXSID80677032 (CAS 326495-33-4)
- 1-(3,5-Dimethoxy-phenyl)-2-(1,3-dioxolan-2-yl)-ethanone (CAS 1263365-59-8)
- 4-Bromo-N-{[4-methyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzene-1-sulfonamide (CAS 338421-64-0)
- (1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol (CAS 75091-90-6)
- 2-Propenoic acid, 2-methyl-, methyl ester, polymer with 2,5-furandione, 1,3-isobenzofurandione and 1,2-propanediol (CAS 41376-33-4)
- 4-Chloropyridine-2,3-dicarboxylic acid (CAS 605661-85-6)
- Insulin aspart (CAS 116094-23-6)
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