Arecoline hydrochloride
TL;DR: Arecoline hydrochloride (CAS 61-94-9) is a chemical compound with molecular formula C8H14ClNO2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
Also Known As: Arecoline hydrochloride, Arecoline HCl, Arecoline.HCl, arecolinhydrochlorid-, Arecoline (hydrochloride)
| Molecular Formula | C8H14ClNO2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 0.84 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.0713 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 61-94-9 |
|---|---|
| SMILES | CN1CCC=C(C1)C(=O)OC.Cl |
| InChIKey | LQSWCSYIDIBGRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Arecoline hydrochloride (CAS 61-94-9), with molecular formula C8H14ClNO2 and molecular weight 191.07 g/mol. IUPAC: methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride.
Chemical Property Profile of Arecoline hydrochloride
Property Insights of Arecoline hydrochloride
The XLogP value of 0.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arecoline hydrochloride. With a topological polar surface area (TPSA) of 29.5 Ų, Arecoline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Arecoline hydrochloride has 1 hydrogen bond donor(s) and 3 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 Arecoline hydrochloride?
The CAS number of Arecoline hydrochloride is 61-94-9.
What is the molecular formula of Arecoline hydrochloride?
The molecular formula of Arecoline hydrochloride is C8H14ClNO2.
What is the molecular weight of Arecoline hydrochloride?
The molecular weight of Arecoline hydrochloride is 191.07 g/mol.
Where can I buy Arecoline hydrochloride?
You can request a quote for Arecoline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arecoline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Arecoline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.