TL;DR: Ditridecyl peroxydicarbonate (CAS 53220-21-6) is a chemical compound with molecular formula C28H54O6 and molecular weight 486.39203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tridecoxycarbonyloxy tridecyl carbonate
Also Known As: Ditridecyl peroxydicarbonate, Ditridecylperoxydicarbonate, 1,1'-[dioxybis(carbonyloxy)]ditridecane, KST-1B5105, Peroxydicarbonic acid ditridecyl ester
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C28H54O6 |
| Molecular Weight | 486.39203 g/mol |
| XLogP | 13.3 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 29 |
| Exact Mass | 486.39203 Da |
| Heavy Atoms | 34 |
| Complexity | 401.0 |
| SMILES | CCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCC |
| InChIKey | TUXIOAHIBIEZAG-UHFFFAOYSA-N |
The XLogP value of 13.3 indicates that Ditridecyl peroxydicarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ditridecyl peroxydicarbonate. Following Lipinski's Rule of Five, Ditridecyl peroxydicarbonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ditridecyl peroxydicarbonate is 53220-21-6.
The molecular formula of Ditridecyl peroxydicarbonate is C28H54O6.
The molecular weight of Ditridecyl peroxydicarbonate is 486.39203 g/mol.
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