Quinisocaine
TL;DR: Quinisocaine (CAS 86-80-6) is a chemical compound with molecular formula C17H24N2O and molecular weight 272.18887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine
Also Known As: Dimethisoquin, Quinisocaine, Quinisocain, Histaderme, Quinoleine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H24N2O |
| Molecular Weight | 272.18887 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 25.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.18887 Da |
| Heavy Atoms | 20 |
| Complexity | 270.0 |
| SMILES | CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C |
| InChIKey | XNMYNYSCEJBRPZ-UHFFFAOYSA-N |
Product Description
Applications: Quinisocaine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Quinisocaine (CAS 86-80-6) has the molecular formula C17H24N2O and a molecular weight of 272.19 g/mol. Synonyms include Dimethisoquin and Quinisocaine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Quinisocaine
Property Insights of Quinisocaine
The XLogP value of 4.2 indicates that Quinisocaine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.4 Ų, Quinisocaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinisocaine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Quinisocaine?
The CAS number of Quinisocaine is 86-80-6.
What is the molecular formula of Quinisocaine?
The molecular formula of Quinisocaine is C17H24N2O.
What is the molecular weight of Quinisocaine?
The molecular weight of Quinisocaine is 272.18887 g/mol.
What are the applications of Quinisocaine?
Quinisocaine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Quinisocaine?
You can request a quote for Quinisocaine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Quinisocaine?
Yes, CoreyChem provides custom synthesis services for Quinisocaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.