scopolamine
TL;DR: scopolamine (CAS 1239-45-8) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate
Also Known As: scopolamine, Hyoscine, Skopolamin, Atrochin, Atroquin
Technical Specifications
| Molecular Formula | C17H21NO4 |
| Molecular Weight | 303.14706 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.14706 Da |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
| SMILES | CN1[C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4 |
| InChIKey | STECJAGHUSJQJN-OYVHKFOJSA-N |
Product Description
Applications: scopolamine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies scopolamine (CAS 1239-45-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
scopolamine is a fine chemical identified by CAS number 1239-45-8 and the molecular formula C17H21NO4 and a molecular weight of 303.15 g/mol. It is also known as scopolamine and Hyoscine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of scopolamine
Property Insights of scopolamine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for scopolamine. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for scopolamine. Following Lipinski's Rule of Five, scopolamine 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
What is the CAS number of scopolamine?
The CAS number of scopolamine is 1239-45-8.
What is the molecular formula of scopolamine?
The molecular formula of scopolamine is C17H21NO4.
What is the molecular weight of scopolamine?
The molecular weight of scopolamine is 303.14706 g/mol.
What are the applications of scopolamine?
scopolamine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies scopolamine (CAS 1239-45-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy scopolamine?
You can request a quote for scopolamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for scopolamine?
Yes, CoreyChem provides custom synthesis services for scopolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
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