甲氟喹
TL;DR: 甲氟喹 (CAS 53230-10-7) is a chemical compound with molecular formula C17H16F6N2O and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲氟喹
[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
Also Known As: mefloquine, Lariam, Mefloquina, Mefloquinone, Mefloquinum
| Molecular Formula | C17H16F6N2O |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.11667 |
| Heavy Atoms | 26 |
| Complexity | 483.0 |
| Melting Point | 250-254 |
| Boiling Point | 415.7±40.0 °C |
| Density | Crystal density: 1.432 g/cu cm |
| Solubility | 1.806 |
Chemical Identifiers
| CAS Number | 53230-10-7 |
|---|---|
| SMILES | C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O |
| InChIKey | XEEQGYMUWCZPDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲氟喹 (CAS 53230-10-7), with molecular formula C17H16F6N2O and molecular weight 378.12 g/mol. IUPAC: [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol.
Chemical Property Profile of 甲氟喹
Property Insights of 甲氟喹
The XLogP value of 3.6 indicates that 甲氟喹 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, 甲氟喹 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲氟喹 has 2 hydrogen bond donor(s) and 9 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 甲氟喹?
The CAS number of 甲氟喹 is 53230-10-7.
What is the molecular formula of 甲氟喹?
The molecular formula of 甲氟喹 is C17H16F6N2O.
What is the molecular weight of 甲氟喹?
The molecular weight of 甲氟喹 is 378.12 g/mol.
Where can I buy 甲氟喹?
You can request a quote for 甲氟喹 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲氟喹?
Yes, KEHONG BIO provides custom synthesis services for 甲氟喹 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.