TL;DR: Hyoscyamine Impurity 10 (CAS 138876-55-8) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,3S,5R,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate
Also Known As: Hyoscyamine Impurity 10, (6R,2 R)-Anisodamine, J2.087.145H, (1R,3S,5R,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2R)-3-hydroxy-2-phenylpropanoate, (1R,3S,5R,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (R)-3-hydroxy-2-phenylpropanoate
| Molecular Formula | C17H23NO4 |
| Molecular Weight | 305.16272 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.16272 Da |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
| SMILES | CN1[C@H]2C[C@@H](C[C@@H]1[C@@H](C2)O)OC(=O)[C@@H](CO)C3=CC=CC=C3 |
| InChIKey | WTQYWNWRJNXDEG-RFBLXINOSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hyoscyamine Impurity 10. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hyoscyamine Impurity 10. Following Lipinski's Rule of Five, Hyoscyamine Impurity 10 has 2 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 Hyoscyamine Impurity 10 is 138876-55-8.
The molecular formula of Hyoscyamine Impurity 10 is C17H23NO4.
The molecular weight of Hyoscyamine Impurity 10 is 305.16272 g/mol.
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