Beldavrin
TL;DR: Beldavrin (CAS 84-39-9) is a chemical compound with molecular formula C17H22BrNO4 and molecular weight 383.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate;hydrobromide
Also Known As: Beldavrin, Euscopol, Isoscopil, Scopamin, Tranaxine
| Molecular Formula | C17H22BrNO4 |
|---|---|
| Molecular Weight | 383.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.0732 |
| Heavy Atoms | 23 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 84-39-9 |
|---|---|
| SMILES | CN1[C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4.Br |
| InChIKey | WTGQALLALWYDJH-JHCWSWNASA-N |
Product Overview
Beldavrin (CAS 84-39-9), with molecular formula C17H22BrNO4 and molecular weight 383.07 g/mol. IUPAC: [(1S,2S,4R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate;hydrobromide.
Chemical Property Profile of Beldavrin
Property Insights of Beldavrin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Beldavrin. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Beldavrin. Following Lipinski's Rule of Five, Beldavrin has 2 hydrogen bond donor(s) and 5 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 Beldavrin?
The CAS number of Beldavrin is 84-39-9.
What is the molecular formula of Beldavrin?
The molecular formula of Beldavrin is C17H22BrNO4.
What is the molecular weight of Beldavrin?
The molecular weight of Beldavrin is 383.07 g/mol.
Where can I buy Beldavrin?
You can request a quote for Beldavrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beldavrin?
Yes, KEHONG BIO provides custom synthesis services for Beldavrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.