n-Methylscopolamine methylsulfate
TL;DR: n-Methylscopolamine methylsulfate (CAS 18067-13-5) is a chemical compound with molecular formula C19H27NO8S and molecular weight 429.15 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;methyl sulfate
Also Known As: Daipin, Sandrix, Espasmo gasium, Ulix, Vitasterin
| Molecular Formula | C19H27NO8S |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 0.1557 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.14575 |
| Heavy Atoms | 29 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 18067-13-5 |
|---|---|
| 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.COS(=O)(=O)[O-] |
| InChIKey | KHMGIQHRSVLFQG-OZVSTBQFSA-M |
Product Overview
n-Methylscopolamine methylsulfate (CAS 18067-13-5), with molecular formula C19H27NO8S and molecular weight 429.15 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;methyl sulfate.
Chemical Property Profile of n-Methylscopolamine methylsulfate
Property Insights of n-Methylscopolamine methylsulfate
The XLogP value of 0.1557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Methylscopolamine methylsulfate. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Methylscopolamine methylsulfate. Following Lipinski's Rule of Five, n-Methylscopolamine methylsulfate has 1 hydrogen bond donor(s) and 8 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 n-Methylscopolamine methylsulfate?
The CAS number of n-Methylscopolamine methylsulfate is 18067-13-5.
What is the molecular formula of n-Methylscopolamine methylsulfate?
The molecular formula of n-Methylscopolamine methylsulfate is C19H27NO8S.
What is the molecular weight of n-Methylscopolamine methylsulfate?
The molecular weight of n-Methylscopolamine methylsulfate is 429.15 g/mol.
Where can I buy n-Methylscopolamine methylsulfate?
You can request a quote for n-Methylscopolamine methylsulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Methylscopolamine methylsulfate?
Yes, KEHONG BIO provides custom synthesis services for n-Methylscopolamine methylsulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.