1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione
TL;DR: 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione (CAS 111039-16-8) is a chemical compound with molecular formula C14H28N4O4S2 and molecular weight 380.1552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dithione
Also Known As: 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione, AF-399/32020048, 1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dithione, 1,4,7,15-Tetraoxa-10,12,18,20-tetraazacyclodocosane-11,19-dithione, 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione #
Technical Specifications
| Molecular Formula | C14H28N4O4S2 |
| Molecular Weight | 380.1552 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 380.1552 Da |
| Heavy Atoms | 24 |
| Complexity | 321.0 |
| SMILES | C1COCCNC(=S)NCCOCCOCCOCCNC(=S)N1 |
| InChIKey | RHQGMBHPBDHWGY-UHFFFAOYSA-N |
Chemical Property Profile of 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione
Property Insights of 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione
The XLogP value of -1.1 indicates that 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione?
The CAS number of 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione is 111039-16-8.
What is the molecular formula of 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione?
The molecular formula of 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione is C14H28N4O4S2.
What is the molecular weight of 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione?
The molecular weight of 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione is 380.1552 g/mol.
Where can I buy 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione?
You can request a quote for 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione?
Yes, CoreyChem provides custom synthesis services for 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.