3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether
TL;DR: 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether (CAS 80843-62-5) is a chemical compound with molecular formula C23H22ClFOS and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-[1-[[3-(4-fluorophenoxy)phenyl]methylsulfanyl]-2-methylpropan-2-yl]benzene
Also Known As: 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether, Benzene, 1-(((2-(4-chlorophenyl)-2-methylpropyl)thio)methyl)-3-(4-fluorophenoxy)-, 1-(((2-(4-Chlorophenyl)-2-methylpropyl)thio)methyl)-3-(4-fluorophenoxy)benzene, 1-({[2-(4-Chlorophenyl)-2-methylpropyl]sulfanyl}methyl)-3-(4-fluorophenoxy)benzene, 1-chloro-4-[1-[[3-(4-fluorophenoxy)phenyl]methylsulfanyl]-2-methylpropan-2-yl]benzene
| Molecular Formula | C23H22ClFOS |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 7.4824 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.10638 |
| Heavy Atoms | 27 |
| Complexity | 875.64 |
Chemical Identifiers
| CAS Number | 80843-62-5 |
|---|---|
| SMILES | CC(C)(CSCC1=CC(=CC=C1)OC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl |
Product Overview
3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether (CAS 80843-62-5), with molecular formula C23H22ClFOS and molecular weight 400.11 g/mol. IUPAC: 1-chloro-4-[1-[[3-(4-fluorophenoxy)phenyl]methylsulfanyl]-2-methylpropan-2-yl]benzene.
Chemical Property Profile of 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether
Property Insights of 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether
The XLogP value of 7.4824 indicates that 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether?
The CAS number of 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether is 80843-62-5.
What is the molecular formula of 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether?
The molecular formula of 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether is C23H22ClFOS.
What is the molecular weight of 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether?
The molecular weight of 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether is 400.11 g/mol.
Where can I buy 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether?
You can request a quote for 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl thioether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.