TL;DR: Assamicadine (CAS 126260-96-6) is a chemical compound with molecular formula C16H23NO5 and molecular weight 309.15762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2,3,4-trimethyl-5-oxooxolane-3-carboxylate
Also Known As: Assamicadine, (-)-Assamicadine, (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2,3,4-trimethyl-5-oxooxolane-3-carboxylate, (1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2,3,4-trimethyl-5-oxooxolane-3-carboxylate, (1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2,3,4-trimethyl-5-oxotetrahydrofuran-3-carboxylate
| Molecular Formula | C16H23NO5 |
| Molecular Weight | 309.15762 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.15762 Da |
| Heavy Atoms | 22 |
| Complexity | 531.0 |
| SMILES | CC1C(=O)OC(C1(C)C(=O)OCC2=CCN3C2C(CC3)O)C |
| InChIKey | ZUGXHQOKJKNPFK-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Assamicadine. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Assamicadine. Following Lipinski's Rule of Five, Assamicadine 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 Assamicadine is 126260-96-6.
The molecular formula of Assamicadine is C16H23NO5.
The molecular weight of Assamicadine is 309.15762 g/mol.
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