TL;DR: Talaromycin E (CAS 111465-42-0) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
Also Known As: Talaromycin E, 1,2-Dioctanoylthiophosphatidylcholine, 9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol, (3R,8R,9S)-3-ethyl-9-(hydroxymethyl)-5,11-dioxaspiro[5.5]undecan-8-ol, 1,7-Dioxaspiro(5.5)undecane-3-methanol, 9-ethyl-4-hydroxy-, (3S-(3alpha,4alpha,6alpha(S*)))-
| Molecular Formula | C12H22O4 |
| Molecular Weight | 230.15181 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.15181 Da |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
| SMILES | CC[C@@H]1CCC2(C[C@H]([C@H](CO2)CO)O)OC1 |
| InChIKey | VDWRKBZMQNPUOB-FBTJUVTCSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Talaromycin E. With a topological polar surface area (TPSA) of 58.9 Ų, Talaromycin E exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Talaromycin E has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Talaromycin E is 111465-42-0.
The molecular formula of Talaromycin E is C12H22O4.
The molecular weight of Talaromycin E is 230.15181 g/mol.
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