Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide
TL;DR: Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide (CAS 672-21-9) is a chemical compound with molecular formula C17H22BrNO4 and molecular weight 383.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate;hydrobromide
Also Known As: Scopolamine hydrobromide, Beldavrin, Euscopol, Isoscopil, Scopamin
| Molecular Formula | C17H22BrNO4 |
|---|---|
| Molecular Weight | 383.07 g/mol |
| LogP | 1.496 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.0732 |
| Heavy Atoms | 23 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 672-21-9 |
|---|---|
| SMILES | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Br |
| InChIKey | WTGQALLALWYDJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide (CAS 672-21-9), with molecular formula C17H22BrNO4 and molecular weight 383.07 g/mol. IUPAC: (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate;hydrobromide.
Chemical Property Profile of Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide
Property Insights of Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide
The XLogP value of 1.496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide. Following Lipinski's Rule of Five, Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide has 2 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 Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide?
The CAS number of Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide is 672-21-9.
What is the molecular formula of Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide?
The molecular formula of Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide is C17H22BrNO4.
What is the molecular weight of Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide?
The molecular weight of Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide is 383.07 g/mol.
Where can I buy Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide?
You can request a quote for Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Tropan-3-ol, 6,7-epoxy-, tropate (ester), hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.