Butylscopolamine
TL;DR: Butylscopolamine (CAS 92758-99-1) is a chemical compound with molecular formula C21H30NO4+ and molecular weight 360.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,4S,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
Also Known As: Butylscopolamine, n-butylscopolammonium, n-butylscopolamine, butylscopolammonium, butilescopolamina
| Molecular Formula | C21H30NO4+ |
|---|---|
| Molecular Weight | 360.22 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.21747 |
| Heavy Atoms | 26 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 92758-99-1 |
|---|---|
| SMILES | CCCC[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 |
| InChIKey | YBCNXCRZPWQOBR-MWGADRMYSA-N |
Product Overview
Butylscopolamine (CAS 92758-99-1), with molecular formula C21H30NO4+ and molecular weight 360.22 g/mol. IUPAC: [(1R,2R,4S,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of Butylscopolamine
Property Insights of Butylscopolamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylscopolamine. With a topological polar surface area (TPSA) of 59.1 Ų, Butylscopolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylscopolamine has 1 hydrogen bond donor(s) and 4 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 Butylscopolamine?
The CAS number of Butylscopolamine is 92758-99-1.
What is the molecular formula of Butylscopolamine?
The molecular formula of Butylscopolamine is C21H30NO4+.
What is the molecular weight of Butylscopolamine?
The molecular weight of Butylscopolamine is 360.22 g/mol.
Where can I buy Butylscopolamine?
You can request a quote for Butylscopolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylscopolamine?
Yes, KEHONG BIO provides custom synthesis services for Butylscopolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.