tert-Butyl ((1r,4r)-4-(3-chloro-N-(3-(pyridin-4-yl)benzyl)benzo[b]thiophene-2-carboxamido)cyclohexyl)(methyl)carbamate CAS 1060978-44-0
| CAS No. | 1060978-44-0 |
| Molecular Formula | C33H36ClN3O3S |
| Molecular Weight | 590.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of tert-Butyl ((1r,4r)-4-(3-chloro-N-(3-(pyridin-4-yl)benzyl)benzo[b]thiophene-2-carboxamido)cyclohexyl)(methyl)carbamate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
tert-Butyl ((1r,4r)-4-(3-chloro-N-(3-(pyridin-4-yl)benzyl)benzo[b]thiophene-2-carboxamido)cyclohexyl)(methyl)carbamate (CAS 1060978-44-0), molecular formula C33H36ClN3O3S and molecular weight 590.18 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, tert-Butyl ((1r,4r)-4-(3-chloro-N-(3-(pyridin-4-yl)benzyl)benzo[b]thiophene-2-carboxamido)cyclohexyl)(methyl)carbamate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 590.18 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), tert-Butyl ((1r,4r)-4-(3-chloro-N-(3-(pyridin-4-yl)benzyl)benzo[b]thiophene-2-carboxamido)cyclohexyl)(methyl)carbamate 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 | C33H36ClN3O3S |
| Molecular Weight | 590.18 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- 3,3,4,4,5,5,6,6,6-Nonafluorohexyl (2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl) carbonate (CAS 1980085-36-6)
- 4,4'-(((2,5-Diiodo-1,4-phenylene)bis(oxy))bis(methylene))bis(2,2-dimethyl-1,3-dioxolane) (CAS 1956324-79-0)
- Perfluoro-1,10-decanedicarboxylic acid (CAS 865-85-0)
- Diclofenac Dimer Impurity 2 (CAS 1609187-30-5)
- 3-Acetamido-4-ethoxybenzenesulfonyl chloride (CAS 103700-24-9)
- (2S,4S)-4-Hydroxy-5-oxotetrahydrofuran-2-carboxylic acid (CAS 120742-25-8)
- 4-Bromopyrazole-3-carbaldehyde (CAS 287917-97-9)
- 4-Amino-5-(2-cyclohexylethyl)-4h-1,2,4-triazole-3-thiol (CAS 854036-02-5)
- 3,3-Difluoro-2-methylpropan-1-amine hydrochloride (CAS 1781031-73-9)
- Bis(2,4-dimethylphenyl)amine (CAS 19616-28-5)
- Ethyl 3-amino-3-(5-bromo-2-fluorophenyl)propanoate (CAS 780034-35-7)
- (3-Bromophenyl)(1-methyl-1H-imidazol-2-yl)methanone (CAS 300849-76-7)
- 2-(4-(Aminomethyl)-6-(difluoromethyl)-5-methylpyridin-3-yl)acetonitrile (CAS 1806961-87-4)
- Endo-Pro36-Tirzepatide (CAS CATO-CPTD788688)
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