1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline
TL;DR: 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline (CAS 96719-45-8) is a chemical compound with molecular formula C22H17F4N and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
Also Known As: 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)-, 1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline, 1-(2-FLUOROPHENYL)-2-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE, 1-(2-Fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C22H17F4N |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 5.9966 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.1297 |
| Heavy Atoms | 27 |
| Complexity | 964.2767 |
Chemical Identifiers
| CAS Number | 96719-45-8 |
|---|---|
| SMILES | C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3F)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline (CAS 96719-45-8), with molecular formula C22H17F4N and molecular weight 371.13 g/mol. IUPAC: 1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline
Property Insights of 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline
The XLogP value of 5.9966 indicates that 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline?
The CAS number of 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline is 96719-45-8.
What is the molecular formula of 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline?
The molecular formula of 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline is C22H17F4N.
What is the molecular weight of 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline?
The molecular weight of 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline is 371.13 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline?
You can request a quote for 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.