1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol
TL;DR: 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol (CAS 439095-40-6) is a chemical compound with molecular formula C18H18F3NO and molecular weight 321.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol
Also Known As: 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol, methylphenethyltrifluoromethylindolinol, 1-Methyl-2-phenethyl-3-(trifluoromethyl)indolin-3-ol, 1-methyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol, J1.505.382H
| Molecular Formula | C18H18F3NO |
|---|---|
| Molecular Weight | 321.13 g/mol |
| LogP | 3.8877 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.13406 |
| Heavy Atoms | 23 |
| Complexity | 686.1661 |
Chemical Identifiers
| CAS Number | 439095-40-6 |
|---|---|
| SMILES | CN1C(C(C2=CC=CC=C21)(C(F)(F)F)O)CCC3=CC=CC=C3 |
Product Overview
1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol (CAS 439095-40-6), with molecular formula C18H18F3NO and molecular weight 321.13 g/mol. IUPAC: 1-methyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol.
Chemical Property Profile of 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol
Property Insights of 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol
The XLogP value of 3.8877 indicates that 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol 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 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol?
The CAS number of 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol is 439095-40-6.
What is the molecular formula of 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol?
The molecular formula of 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol is C18H18F3NO.
What is the molecular weight of 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol?
The molecular weight of 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol is 321.13 g/mol.
Where can I buy 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol?
You can request a quote for 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-phenethyl-3-(trifluoromethyl)-3-indolinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.