4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide
TL;DR: 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide (CAS 55389-08-7) is a chemical compound with molecular formula C13H7F4NO2S and molecular weight 317.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)sulfanyl-2-nitro-4-(trifluoromethyl)benzene
Also Known As: 4-fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide, 8P-822, 1-[(4-fluorophenyl)sulfanyl]-2-nitro-4-(trifluoromethyl)benzene, 1-(4-fluorophenyl)sulfanyl-2-nitro-4-(trifluoromethyl)benzene, Benzene, 1-[(4-fluorophenyl)thio]-2-nitro-4-(trifluoromethyl)-
| Molecular Formula | C13H7F4NO2S |
|---|---|
| Molecular Weight | 317.01 g/mol |
| LogP | 4.9039 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.01337 |
| Heavy Atoms | 21 |
| Complexity | 670.86176 |
Chemical Identifiers
| CAS Number | 55389-08-7 |
|---|---|
| SMILES | C1=CC(=CC=C1F)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide (CAS 55389-08-7), with molecular formula C13H7F4NO2S and molecular weight 317.01 g/mol. IUPAC: 1-(4-fluorophenyl)sulfanyl-2-nitro-4-(trifluoromethyl)benzene.
Chemical Property Profile of 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide
Property Insights of 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide
The XLogP value of 4.9039 indicates that 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide has 0 hydrogen bond donor(s) and 3 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 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide?
The CAS number of 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide is 55389-08-7.
What is the molecular formula of 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide?
The molecular formula of 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide is C13H7F4NO2S.
What is the molecular weight of 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide?
The molecular weight of 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide is 317.01 g/mol.
Where can I buy 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide?
You can request a quote for 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl 2-nitro-4-(trifluoromethyl)phenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.