Methscopolamine nitrate
TL;DR: Methscopolamine nitrate (CAS 51-33-2) is a chemical compound with molecular formula C18H24N2O7 and molecular weight 380.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate nitrate
Also Known As: Methscopolamine nitrate, Mescomine, Skopolate, Viscope, Skopyl
| Molecular Formula | C18H24N2O7 |
|---|---|
| Molecular Weight | 380.16 g/mol |
| LogP | 0.8236 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.15836 |
| Heavy Atoms | 27 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 51-33-2 |
|---|---|
| SMILES | C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[N+](=O)([O-])[O-] |
| InChIKey | BSQIVYOSLFLSGE-OZVSTBQFSA-N |
Product Overview
Methscopolamine nitrate (CAS 51-33-2), with molecular formula C18H24N2O7 and molecular weight 380.16 g/mol. IUPAC: [(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate nitrate.
Chemical Property Profile of Methscopolamine nitrate
Property Insights of Methscopolamine nitrate
The XLogP value of 0.8236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methscopolamine nitrate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methscopolamine nitrate. Following Lipinski's Rule of Five, Methscopolamine nitrate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methscopolamine nitrate?
The CAS number of Methscopolamine nitrate is 51-33-2.
What is the molecular formula of Methscopolamine nitrate?
The molecular formula of Methscopolamine nitrate is C18H24N2O7.
What is the molecular weight of Methscopolamine nitrate?
The molecular weight of Methscopolamine nitrate is 380.16 g/mol.
Where can I buy Methscopolamine nitrate?
You can request a quote for Methscopolamine nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methscopolamine nitrate?
Yes, KEHONG BIO provides custom synthesis services for Methscopolamine nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.