乙氧喹
TL;DR: 乙氧喹 (CAS 91-53-2) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙氧喹
6-ethoxy-2,2,4-trimethyl-1H-quinoline
Also Known As: ethoxyquin, Santoquin, Ethoxyquine, Santoquine, Niflex
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
| Melting Point | less than 0.0 °C |
| Boiling Point | 253 to 125.0 °C at 2 mmHg |
| Density | 1.029 to 1.031 at 25.0 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 107.2 °C |
| Vapor Pressure | 1.82e-05 mmHg at 0.0 °C ; 0.000256 mmHg at 25.0 °C |
| Refractive Index | 1.569-1.672 AT 25 °C |
Chemical Identifiers
| CAS Number | 91-53-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C |
| InChIKey | DECIPOUIJURFOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙氧喹 (CAS 91-53-2), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: 6-ethoxy-2,2,4-trimethyl-1H-quinoline.
Chemical Property Profile of 乙氧喹
Property Insights of 乙氧喹
The XLogP value of 3.1 indicates that 乙氧喹 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 乙氧喹 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙氧喹 has 1 hydrogen bond donor(s) and 2 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 乙氧喹?
The CAS number of 乙氧喹 is 91-53-2.
What is the molecular formula of 乙氧喹?
The molecular formula of 乙氧喹 is C14H19NO.
What is the molecular weight of 乙氧喹?
The molecular weight of 乙氧喹 is 217.15 g/mol.
Where can I buy 乙氧喹?
You can request a quote for 乙氧喹 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙氧喹?
Yes, KEHONG BIO provides custom synthesis services for 乙氧喹 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.