(S)-2-((S)-2-acetamido-3-phenylpropanamido)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid CAS 3786-08-1
| CAS No. | 3786-08-1 |
| Molecular Formula | C20H20I2N2O5 |
| Molecular Weight | 622.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, (S)-2-((S)-2-acetamido-3-phenylpropanamido)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid (C20H20I2N2O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 622.19 g/mol, it falls into the high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies (S)-2-((S)-2-acetamido-3-phenylpropanamido)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid (CAS 3786-08-1), a certified reference material (molecular formula C20H20I2N2O5, MW 622.19 g/mol) for analytical method development and quality control.
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 | C20H20I2N2O5 |
| Molecular Weight | 622.19 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl (3,3,4,4,5,5,6,6,6-nonafluorohexyl) carbonate (CAS 1980085-58-2)
- ((2R,3S,4R,5R)-5-(6-Amino-8-((4-bromo-2,3-dioxobutyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate (CAS 115678-78-9)
- Mosapride Impurity 49 (CAS CATO-C4X-104449)
- 1-(Tert-butyl) 2-methyl 7-(benzyloxy)-5-((tert-butoxycarbonyl)amino)-4-iodo-1H-indole-1,2-dicarboxylate (CAS 919535-06-1)
- 3-(4-Methyl-1h-pyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid (CAS 1510445-29-0)
- 4-Bromo-2-oxoindoline-3-carbaldehyde (CAS 2090407-68-2)
- 26166-39-2 PEZ8F05ODV Ascochlorin Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)-2,4-pentadienyl)-, (1R-(1alpha(2E,4E),2beta,6beta))- beta-Resorcylaldehyde, 5-chloro-6-methyl-3-(3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)-2,4-pentadienyl)-, (E,E)- Antibiotic LL-Z1272 gamma 3-Chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)-2,4-pentadienyl)benzaldehyde (1R-(1alpha(2E,4E),2beta,6beta))- Ilicicolin D LL-Z 1272 gamma NSC 287492 UNII-PEZ8F05ODV (CAS 26166-39-2)
- N-Isopropylpiperidine-4-amine dihydrochloride (CAS 870301-32-9)
- 4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2,3,5,6-tetradeuteriobenzoic acid (CAS 1346600-37-0)
- 1-(3-(1H-Imidazol-1-yl)propyl)guanidine (CAS 794469-52-6)
- BIX 01294 TriHCl (CAS 1392399-03-9)
- 7-([1,1'-Biphenyl]-4-yl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine (CAS 692287-75-5)
- tert-Butyl 3-oxotetrahydro-3H-oxazolo[3,4-a]pyrazine-7(1H)-carboxylate (CAS 935544-47-1)
- Fibrinopeptide A, human TFA (CAS 61533-47-9)
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