Scopolamine (hydrochloride)
TL;DR: Scopolamine (hydrochloride) (CAS 114-49-8) is a chemical compound with molecular formula C17H22ClNO4 and molecular weight 339.12 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;hydrochloride
Also Known As: Hyoscine hydrochloride, Scopolamine hydrobromide, (-)-Scopolamine hydrochloride, Scopolamine, hydrochloride, Chlorhydrate de scopolamine
| Molecular Formula | C17H22ClNO4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 1.3399 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.12375 |
| Heavy Atoms | 23 |
| Complexity | 550.9716 |
Chemical Identifiers
| CAS Number | 114-49-8 |
|---|---|
| SMILES | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Cl |
Product Overview
Scopolamine (hydrochloride) (CAS 114-49-8), with molecular formula C17H22ClNO4 and molecular weight 339.12 g/mol. IUPAC: (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate;hydrochloride.
Chemical Property Profile of Scopolamine (hydrochloride)
Property Insights of Scopolamine (hydrochloride)
The XLogP value of 1.3399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Scopolamine (hydrochloride). The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Scopolamine (hydrochloride). Following Lipinski's Rule of Five, Scopolamine (hydrochloride) 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 (hydrochloride)?
The CAS number of Scopolamine (hydrochloride) is 114-49-8.
What is the molecular formula of Scopolamine (hydrochloride)?
The molecular formula of Scopolamine (hydrochloride) is C17H22ClNO4.
What is the molecular weight of Scopolamine (hydrochloride)?
The molecular weight of Scopolamine (hydrochloride) is 339.12 g/mol.
Where can I buy Scopolamine (hydrochloride)?
You can request a quote for Scopolamine (hydrochloride) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scopolamine (hydrochloride)?
Yes, KEHONG BIO provides custom synthesis services for Scopolamine (hydrochloride) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.