奎尼卡因
TL;DR: 奎尼卡因 (CAS 86-80-6) is a chemical compound with molecular formula C17H24N2O and molecular weight 272.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奎尼卡因
2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine
Also Known As: Dimethisoquin, Quinisocaine, Quinisocain, Histaderme, Quinoleine
| Molecular Formula | C17H24N2O |
|---|---|
| Molecular Weight | 272.19 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 25.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.18887 |
| Heavy Atoms | 20 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 86-80-6 |
|---|---|
| SMILES | CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C |
| InChIKey | XNMYNYSCEJBRPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奎尼卡因 (CAS 86-80-6), with molecular formula C17H24N2O and molecular weight 272.19 g/mol. IUPAC: 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine.
Chemical Property Profile of 奎尼卡因
Property Insights of 奎尼卡因
The XLogP value of 4.2 indicates that 奎尼卡因 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.4 Ų, 奎尼卡因 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奎尼卡因 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
Frequently Asked Questions
What is the CAS number of 奎尼卡因?
The CAS number of 奎尼卡因 is 86-80-6.
What is the molecular formula of 奎尼卡因?
The molecular formula of 奎尼卡因 is C17H24N2O.
What is the molecular weight of 奎尼卡因?
The molecular weight of 奎尼卡因 is 272.19 g/mol.
Where can I buy 奎尼卡因?
You can request a quote for 奎尼卡因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奎尼卡因?
Yes, KEHONG BIO provides custom synthesis services for 奎尼卡因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.