TL;DR: Spheroidene (CAS 13836-61-8) is a chemical compound with molecular formula C41H60O and molecular weight 568.4644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene
Also Known As: Spheroidene, 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene
| Molecular Formula | C41H60O |
| Molecular Weight | 568.4644 g/mol |
| XLogP | 14.7 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 18 |
| Exact Mass | 568.4644 Da |
| Heavy Atoms | 42 |
| Complexity | 1150.0 |
| SMILES | CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C)C |
| InChIKey | FJOCMTHZSURUFA-UHFFFAOYSA-N |
The XLogP value of 14.7 indicates that Spheroidene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Spheroidene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spheroidene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Spheroidene is 13836-61-8.
The molecular formula of Spheroidene is C41H60O.
The molecular weight of Spheroidene is 568.4644 g/mol.
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