(+)-Scopolamine
TL;DR: (+)-Scopolamine (CAS 64069-63-2) 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] (2R)-3-hydroxy-2-phenylpropanoate
Also Known As: (+)-Scopolamine, d-Scopolamine, scopolamine, (+)-Hyoscine, (R)-(+)-Hyoscine
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 64069-63-2 |
|---|---|
| SMILES | CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@@H](CO)C4=CC=CC=C4 |
| InChIKey | STECJAGHUSJQJN-GAUPFVANSA-N |
Product Overview
(+)-Scopolamine (CAS 64069-63-2), 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] (2R)-3-hydroxy-2-phenylpropanoate.
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
Frequently Asked Questions
What is the CAS number of (+)-Scopolamine?
The CAS number of (+)-Scopolamine is 64069-63-2.
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 303.15 g/mol.
Where can I buy (+)-Scopolamine?
You can request a quote for (+)-Scopolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Scopolamine?
Yes, KEHONG BIO provides custom synthesis services for (+)-Scopolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.