Benzoylscopolamine
TL;DR: Benzoylscopolamine (CAS 1927-18-0) is a chemical compound with molecular formula C24H25NO5 and molecular weight 407.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]-3-oxo-2-phenylpropyl] benzoate
Also Known As: Benzoylscopolamine, 3-[(9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl)oxy]-3-oxo-2-phenylpropyl benzoate, Benzeneacetic acid, alpha-((benzoyloxy)methyl)-, 9-methyl-3-oxa-9-azatricyclo(3,3,1,0(2,4))non-7-yl ester, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-
| Molecular Formula | C24H25NO5 |
|---|---|
| Molecular Weight | 407.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.17328 |
| Heavy Atoms | 30 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 1927-18-0 |
|---|---|
| SMILES | CN1C2CC(CC1C3C2O3)OC(=O)C(COC(=O)C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | PYIZRLUJDRRXLD-UHFFFAOYSA-N |
Product Overview
Benzoylscopolamine (CAS 1927-18-0), with molecular formula C24H25NO5 and molecular weight 407.17 g/mol. IUPAC: [3-[(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]-3-oxo-2-phenylpropyl] benzoate.
Chemical Property Profile of Benzoylscopolamine
Property Insights of Benzoylscopolamine
The XLogP value of 3.6 indicates that Benzoylscopolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoylscopolamine. Following Lipinski's Rule of Five, Benzoylscopolamine has 0 hydrogen bond donor(s) and 6 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 Benzoylscopolamine?
The CAS number of Benzoylscopolamine is 1927-18-0.
What is the molecular formula of Benzoylscopolamine?
The molecular formula of Benzoylscopolamine is C24H25NO5.
What is the molecular weight of Benzoylscopolamine?
The molecular weight of Benzoylscopolamine is 407.17 g/mol.
Where can I buy Benzoylscopolamine?
You can request a quote for Benzoylscopolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylscopolamine?
Yes, KEHONG BIO provides custom synthesis services for Benzoylscopolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.