TL;DR: 6,9,12,15,23,26,31,34-Octaoxa-1,3,18,20-tetraazabicyclo[18.8.8]hexatriacontan- 2,19-dithione (CAS 110228-77-8) is a chemical compound with molecular formula C24H46N4O8S2 and molecular weight 582.2757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,9,12,15,23,26,31,34-octaoxa-1,3,18,20-tetrazabicyclo[18.8.8]hexatriacontane-2,19-dithione
Also Known As: 6,9,12,15,23,26,31,34-Octaoxa-1,3,18,20-tetraazabicyclo[18.8.8]hexatriacontan- 2,19-dithione, 6,9,12,15,23,26,31,34-Octaoxa-1,3,18,20-tetraazabicyclo[18.8.8]hexatriacontane-2,19-dithione #, 6,9,12,15,23,26,31,34-octaoxa-1,3,18,20-tetrazabicyclo[18.8.8]hexatriacontane-2,19-dithione
| Molecular Formula | C24H46N4O8S2 |
| Molecular Weight | 582.2757 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 169.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 582.2757 Da |
| Heavy Atoms | 38 |
| Complexity | 542.0 |
| SMILES | C1COCCOCCOCCOCCNC(=S)N2CCOCCOCCN(CCOCCOCC2)C(=S)N1 |
| InChIKey | YDDRCFHOXFYSFN-UHFFFAOYSA-N |
The XLogP value of -1.6 indicates that 6,9,12,15,23,26,31,34-Octaoxa-1,3,18,20-tetraazabicyclo[18.8.8]hexatriacontan- 2,19-dithione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.0 Ų indicates high polarity, suggesting 6,9,12,15,23,26,31,34-Octaoxa-1,3,18,20-tetraazabicyclo[18.8.8]hexatriacontan- 2,19-dithione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,9,12,15,23,26,31,34-Octaoxa-1,3,18,20-tetraazabicyclo[18.8.8]hexatriacontan- 2,19-dithione has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6,9,12,15,23,26,31,34-Octaoxa-1,3,18,20-tetraazabicyclo[18.8.8]hexatriacontan- 2,19-dithione is 110228-77-8.
The molecular formula of 6,9,12,15,23,26,31,34-Octaoxa-1,3,18,20-tetraazabicyclo[18.8.8]hexatriacontan- 2,19-dithione is C24H46N4O8S2.
The molecular weight of 6,9,12,15,23,26,31,34-Octaoxa-1,3,18,20-tetraazabicyclo[18.8.8]hexatriacontan- 2,19-dithione is 582.2757 g/mol.
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