4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid 4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid 5545-52-8 A830653 CAS 5545-52-8
| CAS No. | 5545-52-8 |
| Molecular Formula | C16H27NO6 |
| Molecular Weight | 329.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies 4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid 4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid 5545-52-8 A830653 (CAS 5545-52-8), a certified reference material (molecular formula C16H27NO6, MW 329.39 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, 4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid 4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid 5545-52-8 A830653 is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 329.39 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C16H27NO6 |
| Molecular Weight | 329.39 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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 |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 1 |
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- Methyl 1-(2-chloro-6-fluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylate (CAS 400086-05-7)
- rac-Levothyroxine EP Impurity J (3,3'-DL-Diiodothyronine) (CAS 70-40-6)
- N-methyl-N-(morpholin-2-ylmethyl)pyridazin-3-amine (CAS 1423032-39-6)
- 5-Bromo-2-(trimethylsilyl)pyridine (CAS 291312-74-8)
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- 3-Chloro[1,1-biphenyl]-4-yl 3-pyrrolidinylmethyl-ether hydrochloride (CAS 1219967-53-9)
- 1-(2-Methyl-1H-indol-5-yl)ethanone (CAS 103987-31-1)
- Ethyl 8-hydroxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxylate (CAS 61486-97-3)
- 2-((4-Chlorophenyl)ethynyl)aniline (CAS 221910-19-6)
- Semaglutide impurity 233 (CAS CATO-C4X-2226233)
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