TL;DR: Tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);scandium (CAS 15492-49-6) is a chemical compound with molecular formula C33H60O6Sc and molecular weight 597.3949 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);scandium
Also Known As: IUPAC: 5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; Scandium, TRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)SCANDIUM(III)
| Molecular Formula | C33H60O6Sc |
| Molecular Weight | 597.3949 g/mol |
| XLogP | 9.2663 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 597.3949 Da |
| Heavy Atoms | 40 |
| Complexity | 801.0 |
| SMILES | CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Sc] |
| InChIKey | DTXBDJFPVKQCCF-UHFFFAOYSA-N |
The XLogP value of 9.2663 indicates that Tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);scandium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);scandium. Following Lipinski's Rule of Five, Tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);scandium has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);scandium is 15492-49-6.
The molecular formula of Tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);scandium is C33H60O6Sc.
The molecular weight of Tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);scandium is 597.3949 g/mol.
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