TL;DR: EV-22 methyl ester (CAS 115216-95-0) is a chemical compound with molecular formula C18H20O6 and molecular weight 332.12598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 7-[5-(1-hydroxyhepta-2,4,6-triynyl)-2-oxo-1,3-dioxolan-4-yl]heptanoate
Also Known As: EV-22 methyl ester, Sch 31828 methyl ester, L 663992, 1,3-Dioxolane-4-heptanoic acid, 5-(1-hydroxy-2,4,6-heptatriynyl)-2-oxo-, methyl ester, (4S-(4-alpha,5-beta(S*)))-, METHYL 7-[5-(1-HYDROXYHEPTA-2,4,6-TRIYN-1-YL)-2-OXO-1,3-DIOXOLAN-4-YL]HEPTANOATE
| Molecular Formula | C18H20O6 |
| Molecular Weight | 332.12598 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 332.12598 Da |
| Heavy Atoms | 24 |
| Complexity | 629.0 |
| SMILES | COC(=O)CCCCCCC1C(OC(=O)O1)C(C#CC#CC#C)O |
| InChIKey | YHKYOCPCNKEVQR-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EV-22 methyl ester. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for EV-22 methyl ester. Following Lipinski's Rule of Five, EV-22 methyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of EV-22 methyl ester is 115216-95-0.
The molecular formula of EV-22 methyl ester is C18H20O6.
The molecular weight of EV-22 methyl ester is 332.12598 g/mol.
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