![4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether structure](/static/products/4778/477869-59-3.webp)
4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether
TL;DR: 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether (CAS 477869-59-3) is a chemical compound with molecular formula C21H16F3NO3S and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfanyl-2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
Also Known As: 1P-678S, 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether, 1-(4-methylphenyl)sulfanyl-2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene, 1-[(4-methylphenyl)sulfanyl]-2-nitro-4-{[3-(trifluoromethyl)phenoxy]methyl}benzene
| Molecular Formula | C21H16F3NO3S |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 6.65222 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.0803 |
| Heavy Atoms | 29 |
| Complexity | 1020.42505 |
Chemical Identifiers
| CAS Number | 477869-59-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)COC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-] |
Product Overview
4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether (CAS 477869-59-3), with molecular formula C21H16F3NO3S and molecular weight 419.08 g/mol. IUPAC: 1-(4-methylphenyl)sulfanyl-2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene.
Chemical Property Profile of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether
Property Insights of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether
The XLogP value of 6.65222 indicates that 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether?
The CAS number of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether is 477869-59-3.
What is the molecular formula of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether?
The molecular formula of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether is C21H16F3NO3S.
What is the molecular weight of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether?
The molecular weight of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether is 419.08 g/mol.
Where can I buy 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether?
You can request a quote for 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzyl 3-(trifluoromethyl)phenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.