Hyoscyamine hydrochloride
TL;DR: Hyoscyamine hydrochloride (CAS 5934-50-9) is a chemical compound with molecular formula C17H24ClNO3 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;hydrochloride
Also Known As: hyoscyamine, Duboisene, L-Hyoscyamine, Hyoscyamine hydrochloride, Hyoscyaminhydrochlorid
| Molecular Formula | C17H24ClNO3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 2.35 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.14447 |
| Heavy Atoms | 22 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 5934-50-9 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.Cl |
| InChIKey | OJIPQOWZZMSBGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hyoscyamine hydrochloride (CAS 5934-50-9), with molecular formula C17H24ClNO3 and molecular weight 325.14 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;hydrochloride.
Chemical Property Profile of Hyoscyamine hydrochloride
Property Insights of Hyoscyamine hydrochloride
The XLogP value of 2.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hyoscyamine hydrochloride. With a topological polar surface area (TPSA) of 49.8 Ų, Hyoscyamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hyoscyamine hydrochloride has 2 hydrogen bond donor(s) and 4 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 Hyoscyamine hydrochloride?
The CAS number of Hyoscyamine hydrochloride is 5934-50-9.
What is the molecular formula of Hyoscyamine hydrochloride?
The molecular formula of Hyoscyamine hydrochloride is C17H24ClNO3.
What is the molecular weight of Hyoscyamine hydrochloride?
The molecular weight of Hyoscyamine hydrochloride is 325.14 g/mol.
Where can I buy Hyoscyamine hydrochloride?
You can request a quote for Hyoscyamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hyoscyamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Hyoscyamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.