東莨菪鹼
TL;DR: 東莨菪鹼 (CAS 51-34-3) 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.
東莨菪鹼
(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate
Also Known As: scopolamine, Hyosol, Hyoscine, (-)-Scopolamine, Atroscine
| 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 | 51-34-3 |
|---|---|
| SMILES | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 |
| InChIKey | STECJAGHUSJQJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
東莨菪鹼 (CAS 51-34-3), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of 東莨菪鹼
Property Insights of 東莨菪鹼
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 東莨菪鹼. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 東莨菪鹼. Following Lipinski's Rule of Five, 東莨菪鹼 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 東莨菪鹼?
The CAS number of 東莨菪鹼 is 51-34-3.
What is the molecular formula of 東莨菪鹼?
The molecular formula of 東莨菪鹼 is C17H21NO4.
What is the molecular weight of 東莨菪鹼?
The molecular weight of 東莨菪鹼 is 303.15 g/mol.
Where can I buy 東莨菪鹼?
You can request a quote for 東莨菪鹼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 東莨菪鹼?
Yes, KEHONG BIO provides custom synthesis services for 東莨菪鹼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.