Boro-Scopol
TL;DR: Boro-Scopol (CAS 138-12-5) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
Also Known As: scopolamine, Hyoscine, (-)-Scopolamine, Scopine tropate, Transderm-Scop
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 0.9181 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 545.0372 |
Chemical Identifiers
| CAS Number | 138-12-5 |
|---|---|
| SMILES | CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4 |
Product Overview
Boro-Scopol (CAS 138-12-5), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of Boro-Scopol
Property Insights of Boro-Scopol
The XLogP value of 0.9181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boro-Scopol. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Boro-Scopol. Following Lipinski's Rule of Five, Boro-Scopol 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
Frequently Asked Questions
What is the CAS number of Boro-Scopol?
The CAS number of Boro-Scopol is 138-12-5.
What is the molecular formula of Boro-Scopol?
The molecular formula of Boro-Scopol is C17H21NO4.
What is the molecular weight of Boro-Scopol?
The molecular weight of Boro-Scopol is 303.15 g/mol.
Where can I buy Boro-Scopol?
You can request a quote for Boro-Scopol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boro-Scopol?
Yes, KEHONG BIO provides custom synthesis services for Boro-Scopol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.