![4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene structure](/static/products/3216/321686-84-4.webp)
4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene
TL;DR: 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene (CAS 321686-84-4) is a chemical compound with molecular formula C14H8ClF3N2O6S2 and molecular weight 455.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-2-nitro-1-(4-nitrophenyl)sulfanylbenzene
Also Known As: 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene, 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-2-nitro-1-(4-nitrophenyl)sulfanylbenzene, 4-(2-CHLORO-1,1,2-TRIFLUOROETHANESULFONYL)-2-NITRO-1-[(4-NITROPHENYL)SULFANYL]BENZENE
| Molecular Formula | C14H8ClF3N2O6S2 |
|---|---|
| Molecular Weight | 455.95 g/mol |
| LogP | 4.5551 |
| Topological Polar Surface Area | 120.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.94644 |
| Heavy Atoms | 28 |
| Complexity | 1031.8722 |
Chemical Identifiers
| CAS Number | 321686-84-4 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SC2=C(C=C(C=C2)S(=O)(=O)C(C(F)Cl)(F)F)[N+](=O)[O-] |
Product Overview
4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene (CAS 321686-84-4), with molecular formula C14H8ClF3N2O6S2 and molecular weight 455.95 g/mol. IUPAC: 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-2-nitro-1-(4-nitrophenyl)sulfanylbenzene.
Chemical Property Profile of 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene
Property Insights of 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene
The XLogP value of 4.5551 indicates that 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene. Following Lipinski's Rule of Five, 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene has 0 hydrogen bond donor(s) and 7 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-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene?
The CAS number of 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene is 321686-84-4.
What is the molecular formula of 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene?
The molecular formula of 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene is C14H8ClF3N2O6S2.
What is the molecular weight of 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene?
The molecular weight of 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene is 455.95 g/mol.
Where can I buy 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene?
You can request a quote for 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Chloro-1,1,2-trifluoroethyl)sulfonyl]-2-nitro-1-[(4-nitrophenyl)thio]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.