Hyoscine N-oxide
TL;DR: Hyoscine N-oxide (CAS 6106-81-6) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S,4R,5S)-9-methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate
Also Known As: Hyoscine N-oxide, [(1S,2R,4S,5S)-9-Methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate
Technical Specifications
| Molecular Formula | C17H21NO5 |
| Molecular Weight | 319.14197 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.14197 Da |
| Heavy Atoms | 23 |
| Complexity | 460.0 |
| SMILES | C[N+]1([C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4)[O-] |
| InChIKey | GSYQNAMOFFWAPF-WDIYAYICSA-N |
Chemical Property Profile of Hyoscine N-oxide
Property Insights of Hyoscine N-oxide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hyoscine N-oxide. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Hyoscine N-oxide. Following Lipinski's Rule of Five, Hyoscine N-oxide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hyoscine N-oxide?
The CAS number of Hyoscine N-oxide is 6106-81-6.
What is the molecular formula of Hyoscine N-oxide?
The molecular formula of Hyoscine N-oxide is C17H21NO5.
What is the molecular weight of Hyoscine N-oxide?
The molecular weight of Hyoscine N-oxide is 319.14197 g/mol.
Where can I buy Hyoscine N-oxide?
You can request a quote for Hyoscine N-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hyoscine N-oxide?
Yes, CoreyChem provides custom synthesis services for Hyoscine N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.