N-Cyclopropyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine CAS 478029-91-3
| CAS No. | 478029-91-3 |
| Molecular Formula | C21H19N3S2 |
| Molecular Weight | 377.53 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 377.53 g/mol gives N-Cyclopropyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
N-Cyclopropyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine (CAS 478029-91-3), molecular formula C21H19N3S2 and molecular weight 377.53 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of N-Cyclopropyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine (C21H19N3S2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures N-Cyclopropyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C21H19N3S2 |
| Molecular Weight | 377.53 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related N Standards
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Recommended Standards
- 4-{[(4-methylphenyl)methyl]sulfanyl}-N-(prop-2-en-1-yl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine (CAS 478029-90-2)
- Tofacitinib Impurity 67 (CAS CATO-C4X-107967)
- 2-(Benzylthio)-4-(pyrrolidin-1-yl)benzo[4,5]thieno[3,2-d]pyrimidine (CAS 478029-89-9)
- 4-((Cyclopentylamino)methyl)-N-(1-(cyclopropylmethyl)pyrrolidin-3-yl)benzenesulfonamide (CAS 1336912-44-7)
- (4-Amino-1,1,1-trifluorobutan-2-yl)dimethylamine (CAS 1157130-39-6)
- 5-Oxa-12-azadispiro[3.1.4(6).3(4)]tridecane (CAS 1467844-23-0)
- 2-Amino-5-(tert-butoxy)-4-fluorobenzoic acid (CAS 1248015-27-1)
- 3,4-Dimethylthieno[2,3-b]pyridine-2-carboxylic acid (CAS 1050884-45-1)
- 5-(2,3,4-Trichlorophenyl)pyrimidin-2-amine (CAS 1111112-78-7)
- 3-hydroxy-2-methoxybutanoic acid (CAS 857829-93-7)
- 3-Cyano-2,6-difluorobenzoic acid (CAS 1314971-48-6)
- 1-(2,2,2-Trifluoroacetyl)piperidine-2-carbonitrile (CAS 144122-19-0)
- N-(2-((4-Methyl-4H-1,2,4-triazol-3-yl)thio)ethyl)-5-oxo-1,4-thiazepane-3-carboxamide (CAS 1396630-53-7)
- [Glu]17-Liraglutide (CAS CATO-C4X-199236)
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