TL;DR: Sm 10906 (CAS 157318-92-8) is a chemical compound with molecular formula C22H38O5 and molecular weight 382.2719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(2R,3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]acetic acid
Also Known As: Sm 10906, 2-[2-[(2R,3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]acetic acid, 2-{2-[(2R,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methylnon-1-en-1-yl]-octahydropentalen-2-yl]ethoxy}acetic acid, Acetic acid, (2-((2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-((1E,3S,5S)-3-hydroxy-5-methyl-1-nonenyl)-2-pentalenyl)ethoxy)-, [2-[[(2R,3abeta,6abeta)-Octahydro-4beta-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonenyl]-5alpha-hydroxypentalen]-2beta-yl]ethoxy]acetic acid
| Molecular Formula | C22H38O5 |
| Molecular Weight | 382.2719 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 382.2719 Da |
| Heavy Atoms | 27 |
| Complexity | 477.0 |
| SMILES | CCCC[C@H](C)C[C@@H](/C=C/[C@@H]1[C@H]2C[C@@H](C[C@H]2C[C@H]1O)CCOCC(=O)O)O |
| InChIKey | KCWJAXJEGXEZQC-JKVOQSHXSA-N |
The XLogP value of 4.4 indicates that Sm 10906 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sm 10906. Following Lipinski's Rule of Five, Sm 10906 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Sm 10906 is 157318-92-8.
The molecular formula of Sm 10906 is C22H38O5.
The molecular weight of Sm 10906 is 382.2719 g/mol.
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