![(4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane structure](/static/products/1272/127291-63-8.webp)
(4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane
TL;DR: (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane (CAS 127291-63-8) is a chemical compound with molecular formula C14H10F3NO4S and molecular weight 345.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-2-nitro-4-(trifluoromethyl)benzene
Also Known As: (4-methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane, 2-Nitro-1-tosyl-4-(trifluoromethyl)benzene, 1-(4-methylbenzenesulfonyl)-2-nitro-4-(trifluoromethyl)benzene, 1-(4-methylphenyl)sulfonyl-2-nitro-4-(trifluoromethyl)benzene, 1R-0631
| Molecular Formula | C14H10F3NO4S |
|---|---|
| Molecular Weight | 345.03 g/mol |
| LogP | 3.75482 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.02826 |
| Heavy Atoms | 23 |
| Complexity | 858.58136 |
Chemical Identifiers
| CAS Number | 127291-63-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
(4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane (CAS 127291-63-8), with molecular formula C14H10F3NO4S and molecular weight 345.03 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-2-nitro-4-(trifluoromethyl)benzene.
Chemical Property Profile of (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane
Property Insights of (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane
The XLogP value of 3.75482 indicates that (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane. Following Lipinski's Rule of Five, (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane has 0 hydrogen bond donor(s) and 4 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-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane?
The CAS number of (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane is 127291-63-8.
What is the molecular formula of (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane?
The molecular formula of (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane is C14H10F3NO4S.
What is the molecular weight of (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane?
The molecular weight of (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane is 345.03 g/mol.
Where can I buy (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane?
You can request a quote for (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane?
Yes, KEHONG BIO provides custom synthesis services for (4-Methylphenyl)[2-nitro-4-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.