TL;DR: Sitophilure (CAS 108815-20-9) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S,5R)-5-hydroxy-4-methylheptan-3-one
Also Known As: Sitophilure, (+)-Sitophilure, 5R-Hydroxy-4S-methylheptan-3-one, (4S,5R)-5-hydroxy-4-methylheptan-3-one, 5-Hydroxy-4-methylheptan-3-one
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.11504 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.11504 Da |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
| SMILES | CC[C@H]([C@H](C)C(=O)CC)O |
| InChIKey | GEZUGFBWAPDBGZ-NKWVEPMBSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sitophilure. With a topological polar surface area (TPSA) of 37.3 Ų, Sitophilure exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sitophilure has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Sitophilure is 108815-20-9.
The molecular formula of Sitophilure is C8H16O2.
The molecular weight of Sitophilure is 144.11504 g/mol.
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