(R)-1-((S)-2-Amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoyl)pyrrolidine-2-carboxylic acid CAS 844879-87-4
| CAS No. | 844879-87-4 |
| Molecular Formula | C18H25Cl2N3O3 |
| Molecular Weight | 402.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(R)-1-((S)-2-Amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoyl)pyrrolidine-2-carboxylic acid (CAS 844879-87-4) is a high-purity analytical reference standard with the molecular formula C18H25Cl2N3O3 and a molecular weight of 402.32 g/mol.
The molecular framework of (R)-1-((S)-2-Amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoyl)pyrrolidine-2-carboxylic acid (C18H25Cl2N3O3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C18H25Cl2N3O3 |
| Molecular Weight | 402.32 g/mol |
| Appearance | Off-white to pale 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- (9H-Fluoren-9-yl)methyl (6-bromohexyl)carbamate (CAS 359869-55-9)
- 1-(3,4-Dichlorophenyl)-3-({[(Z)-[1-(furan-2-yl)ethylidene]amino]carbamothioyl}amino)thiourea (CAS 866152-04-7)
- tert-Butyl (4-bromothiazol-2-yl)((4-cyanotetrahydro-2H-pyran-4-yl)methyl)carbamate (CAS 2247481-26-9)
- 1-{2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]thiophen-3-yl}-1H-pyrrole (CAS 439109-45-2)
- 2,2,5-Trimethyl-1,3-dioxolan-4-one (CAS 4158-85-4)
- (5-((4-Ethylpiperazin-1-yl)sulfonyl)-2-methylphenyl)boronic acid (CAS 1704122-16-6)
- PF 03463275 (CAS 1173239-39-8)
- (S)-2-((1-Benzylpiperidin-3-yl)(ethyl)amino)ethanol (CAS 1354015-25-0)
- 7-Methoxy-2-methylbenzo[d]oxazole (CAS 849402-66-0)
- 5-Methoxy-2-(oxetan-3-yloxy)benzaldehyde (CAS 2168106-34-9)
- 2-Formylphenoxyacetic acid (CAS 6280-80-4)
- Tin(IV) phenylmethanethiolate (CAS 16528-58-8)
- (R)-2-acetoxy-3-methylbutanoic acid (CAS 44976-78-5)
- Semaglutide impurity 251 (CAS CATO-C4X-2226251)
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