1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate
TL;DR: 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate (CAS 56187-09-8) is a chemical compound with molecular formula C12H36N6O12S3 and molecular weight 552.15533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4,7,10,13,16-hexazoniacyclooctadecane trisulfate
Also Known As: Hexacyclen trisulfate, 1,4,7,10,13,16-hexazoniacyclooctadecane;trisulfate, 1,4,7,10,13,16-hexazoniacyclooctadecane trisulfate, 1,4,7,10,13,16-HEXAAZACYCLOOCTADECANE, SULFATE (1:3)
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H36N6O12S3 |
| Molecular Weight | 552.15533 g/mol |
| XLogP | -12.63 |
| Topological Polar Surface Area (TPSA) | 366.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 0 |
| Exact Mass | 552.15533 Da |
| Heavy Atoms | 33 |
| Complexity | 170.0 |
| SMILES | C1C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]1.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-] |
| InChIKey | UXVDKNLOZWKLJC-UHFFFAOYSA-N |
Chemical Property Profile of 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate
Property Insights of 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate
The XLogP value of -12.63 indicates that 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 366.0 Ų indicates high polarity, suggesting 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate?
The CAS number of 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate is 56187-09-8.
What is the molecular formula of 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate?
The molecular formula of 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate is C12H36N6O12S3.
What is the molecular weight of 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate?
The molecular weight of 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate is 552.15533 g/mol.
Where can I buy 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate?
You can request a quote for 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate?
Yes, CoreyChem provides custom synthesis services for 1,4,7,10,13,16-Hexazoniacyclooctadecane;trisulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.