(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4-hydroxyphenoxy)-3,5-diiodophenyl)propanoic acid CAS 178877-78-6
| CAS No. | 178877-78-6 |
| Molecular Formula | C20H21I2NO6 |
| Molecular Weight | 625.19 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 (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4-hydroxyphenoxy)-3,5-diiodophenyl)propanoic acid.
(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4-hydroxyphenoxy)-3,5-diiodophenyl)propanoic acid (CAS 178877-78-6), molecular formula C20H21I2NO6 and molecular weight 625.19 g/mol, is a CATO reference standard with documented purity and traceability.
(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4-hydroxyphenoxy)-3,5-diiodophenyl)propanoic acid (C20H21I2NO6) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, iodine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C20H21I2NO6 |
| Molecular Weight | 625.19 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 2008 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- ZR4D53AD57 601-34-3 Cholesteryl palmitate Cholest-5-ene-3-beta-yl palmitate Cholesterol, palmitate (8CI) Cholest-5-en-3-ol (3beta)-, 3-hexadecanoate Cholest-5-en-3-ol (3beta)-, hexadecanoate Cholesterol palmitate Cholesteryl hexadecanoate EINECS 210-002-5 Hexadecanoic acid, cholesteryl ester NSC 59692 UNII-ZR4D53AD57 Cholesterol hexadecanoate (CAS 601-34-3)
- [1,2-Bis[[3-(trifluoromethyl)phenyl]imino]acenaphthene](chloro)(methyl)palladium (CAS 674322-84-0)
- Copper,(1,1,2,2,2-pentafluoroethyl)(1,10-phenanthroline-κN1,κN10)(triphenylphosphine)- (CAS 1686161-70-5)
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- 3-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzonitrile (CAS 1022580-03-5)
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