TL;DR: 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis(3,6-dihydroxy-5-tridecyl- (CAS 13917-35-6) is a chemical compound with molecular formula C39H60O8 and molecular weight 656.42883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione
Also Known As: ARDISIN, 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis(3,6-dihydroxy-5-tridecyl-, 2,2'-Methylenebis(3,6-dihydroxy-5-tridecyl-2,5-cyclohexadiene-1,4-dione), 2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione, 2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-y
| Molecular Formula | C39H60O8 |
| Molecular Weight | 656.42883 g/mol |
| XLogP | 13.0 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 26 |
| Exact Mass | 656.42883 Da |
| Heavy Atoms | 47 |
| Complexity | 1110.0 |
| SMILES | CCCCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)O)CC2=C(C(=O)C(=C(C2=O)O)CCCCCCCCCCCCC)O)O |
| InChIKey | UJRBGYWAIIVDNE-UHFFFAOYSA-N |
The XLogP value of 13.0 indicates that 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis(3,6-dihydroxy-5-tridecyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis(3,6-dihydroxy-5-tridecyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis(3,6-dihydroxy-5-tridecyl- has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis(3,6-dihydroxy-5-tridecyl- is 13917-35-6.
The molecular formula of 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis(3,6-dihydroxy-5-tridecyl- is C39H60O8.
The molecular weight of 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis(3,6-dihydroxy-5-tridecyl- is 656.42883 g/mol.
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