Methyl 3-{[(2,4-dichlorophenyl)carbamoyl]amino}-3-[4-(propan-2-yl)phenyl]propanoate CAS 439094-79-8
| CAS No. | 439094-79-8 |
| Molecular Formula | C20H22Cl2N2O3 |
| Molecular Weight | 409.31 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 Methyl 3-{[(2,4-dichlorophenyl)carbamoyl]amino}-3-[4-(propan-2-yl)phenyl]propanoate.
CATO supplies Methyl 3-{[(2,4-dichlorophenyl)carbamoyl]amino}-3-[4-(propan-2-yl)phenyl]propanoate (CAS 439094-79-8), a certified reference material (molecular formula C20H22Cl2N2O3, MW 409.31 g/mol) for analytical method development and quality control.
Structurally, Methyl 3-{[(2,4-dichlorophenyl)carbamoyl]amino}-3-[4-(propan-2-yl)phenyl]propanoate (C20H22Cl2N2O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 409.31 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C20H22Cl2N2O3 |
| Molecular Weight | 409.31 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
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Recommended Standards
- 7,9-Dichloro-2-phenyl-5-(p-tolyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine (CAS 302904-05-8)
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- Baclofen impurity 11 (CAS CATO-C4X-101211)
- 9-(3-Bromophenyl)-10-phenylanthracene (CAS 1023674-80-7)
- 2-Amino-6-(benzyloxy)nicotinic acid (CAS 2413397-01-8)
- 5-Fluoro-2-(methoxymethoxy)benzenesulfonyl chloride (CAS 2126161-66-6)
- 6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CAS 1638760-18-5)
- 2h,3h-Thieno[3,4-b][1,4]dioxine-5-carbonitrile (CAS 859851-02-8)
- Ethyl 2-methoxy-6-methylnicotinate (CAS 1227576-34-2)
- 2-(carboxymethyl)-1-methyl-pyrrole-3-carboxylic acid (CAS 83863-74-5)
- 5-Bromo-4-cyclopropyl-1H-imidazole (CAS 2550471-13-9)
- 3-bromothiophene-2-carbonyl isothiocyanate (CAS 1339908-68-7)
- 2-(1,2,2-Trichlorovinyl)-1H-benzo[d]imidazole (CAS 680579-76-4)
- (Cys2)-Neuropeptide Y-8-aminooctanoyl-(D-Cys27)-Neuropeptide Y (25-32) (H-3298.0500) (CAS 128806-04-2)
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