6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium
TL;DR: 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium (CAS 79205-08-6) is a chemical compound with molecular formula C12H12F3NO2 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium
Also Known As: 6-methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium, 6-Methoxy-3-methyl-2-oxo-1-(trifluoromethyl)-3,4-dihydro-2lambda~5~-isoquinoline
| Molecular Formula | C12H12F3NO2 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.082 |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 79205-08-6 |
|---|---|
| SMILES | CC1CC2=C(C=CC(=C2)OC)C(=[N+]1[O-])C(F)(F)F |
| InChIKey | KWRYRKSYRVHOFY-UHFFFAOYSA-N |
Product Overview
6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium (CAS 79205-08-6), with molecular formula C12H12F3NO2 and molecular weight 259.08 g/mol. IUPAC: 6-methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium.
Chemical Property Profile of 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium
Property Insights of 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium. With a topological polar surface area (TPSA) of 38.0 Ų, 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium has 0 hydrogen bond donor(s) and 5 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 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium?
The CAS number of 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium is 79205-08-6.
What is the molecular formula of 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium?
The molecular formula of 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium is C12H12F3NO2.
What is the molecular weight of 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium?
The molecular weight of 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium is 259.08 g/mol.
Where can I buy 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium?
You can request a quote for 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-3-methyl-2-oxido-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.