4-(3-(Benzo[d][1,3]dioxol-5-yl)thioureido)-N-(3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)butanamide CAS 147779-46-2
| CAS No. | 147779-46-2 |
| Molecular Formula | C27H36N4O4S |
| Molecular Weight | 512.66 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 4-(3-(Benzo[d][1,3]dioxol-5-yl)thioureido)-N-(3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)butanamide.
CATO supplies 4-(3-(Benzo[d][1,3]dioxol-5-yl)thioureido)-N-(3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)butanamide (CAS 147779-46-2), a certified reference material (molecular formula C27H36N4O4S, MW 512.66 g/mol) for analytical method development and quality control.
Structurally, 4-(3-(Benzo[d][1,3]dioxol-5-yl)thioureido)-N-(3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)butanamide (C27H36N4O4S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 512.66 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C27H36N4O4S |
| Molecular Weight | 512.66 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 |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1999 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Benzo Standards
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Recommended Standards
- 2-Bromo-1-(4-(trifluoromethyl)pyridin-2-yl)ethan-1-one (CAS 1379330-05-8)
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- Fmoc-lys(teoc)-oh (CAS 122903-68-8)
- Ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4h-1,2,4-triazol-3-yl]acetate (CAS 863669-70-9)
- 3-(fluoromethyl)-N-methyl-oxetan-3-amine (CAS 2306275-73-8)
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- [3-(aminosulfonyl)-5-fluoro-4-methoxyphenyl]acetic acid (CAS 926236-77-3)
- 3-Amino-2-(2-fluorobenzyl)-N-methylpropanamide (CAS 1249110-59-5)
- 6-Ethoxyquinolin-8-amine (CAS 644984-33-8)
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- Isoprenaline Impurity 44 (CAS CATO-C4X-277544)
- (S)-1-(3-aminopyrrolidin-1-yl)-2,2,2-trifluoroethan-1-one (CAS 178688-08-9)
- Semaglutide (CAS CATO-C4X-2226105)
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