(S)-2-((tert-butoxycarbonyl)amino)-3-(4-(3-(3-hydroxy-2,2-dimethylpropyl)-2-iodo-1H-indol-5-yl)thiazol-2-yl)propanoic acid CAS 2764998-29-8
| CAS No. | 2764998-29-8 |
| Molecular Formula | C24H30IN3O5S |
| Molecular Weight | 599.48 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.
(S)-2-((tert-butoxycarbonyl)amino)-3-(4-(3-(3-hydroxy-2,2-dimethylpropyl)-2-iodo-1H-indol-5-yl)thiazol-2-yl)propanoic acid (CAS 2764998-29-8), molecular formula C24H30IN3O5S and molecular weight 599.48 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (S)-2-((tert-butoxycarbonyl)amino)-3-(4-(3-(3-hydroxy-2,2-dimethylpropyl)-2-iodo-1H-indol-5-yl)thiazol-2-yl)propanoic acid (C24H30IN3O5S) contains a flavonoid core, an amide group, a sulfone 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 599.48 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.
As a certified reference material (CRM), (S)-2-((tert-butoxycarbonyl)amino)-3-(4-(3-(3-hydroxy-2,2-dimethylpropyl)-2-iodo-1H-indol-5-yl)thiazol-2-yl)propanoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C24H30IN3O5S |
| Molecular Weight | 599.48 g/mol |
| Purity | ＞95% |
| 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.) | 2003 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- Ethyl 2-(2-cyano-3-(1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 5505-83-9)
- N,N′-Bis[2-(chloroacetamido)ethyl]-N,N′-dimethylrhodamine (CAS 1022050-89-0)
- Ledipasvir Impurity 9 (CAS CATO-C4X-33139)
- Mal-PEG6-PFP ester (CAS 1599486-33-5)
- 4-Chloro-N-isopropyl-5-methylpyrimidin-2-amine (CAS 1289388-02-8)
- 2-[(1-formylnaphthalen-2-yl)oxy]acetic acid (CAS 27855-91-0)
- 6-Methyl-4-phenyl-[2,2'-bipyridine]-5-carbonitrile (CAS 133617-72-8)
- 2-Chloro-N-(2-chloro-4-methylphenyl)acetamide (CAS 379255-38-6)
- 1-(4-Nitro-5-(phenylthio)thiophen-2-yl)ethanone (CAS 90680-28-7)
- 2,5-Bis((1H-indol-3-yl)methylene)cyclopentanone (CAS 53013-59-5)
- 3-[4-(trifluoromethoxy)phenyl]butanoic acid (CAS 1042641-97-3)
- Benzyl 1-(tert-butoxycarbonyl)piperidin-4-ylmethylcarbamate (CAS 847039-05-8)
- 4-Cyanocinnamic acid (CAS 18664-39-6)
- Tirzepatide Impurity 22 X TFA Salt (CAS CATO-C4X-324022)
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