![Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane structure](/static/products/866/866137-59-9.png)
Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane
TL;DR: Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane (CAS 866137-59-9) 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.
2-benzylsulfonyl-1-nitro-4-(trifluoromethyl)benzene
Also Known As: 2-benzylsulfonyl-1-nitro-4-(trifluoromethyl)benzene, benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane, 1-nitro-2-phenylmethanesulfonyl-4-(trifluoromethyl)benzene, 8W-0004, BenZyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-sulfane
| Molecular Formula | C14H10F3NO4S |
|---|---|
| Molecular Weight | 345.03 g/mol |
| LogP | 3.5875 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.02826 |
| Heavy Atoms | 23 |
| Complexity | 832.846 |
Chemical Identifiers
| CAS Number | 866137-59-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane (CAS 866137-59-9), with molecular formula C14H10F3NO4S and molecular weight 345.03 g/mol. IUPAC: 2-benzylsulfonyl-1-nitro-4-(trifluoromethyl)benzene.
Chemical Property Profile of Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane
Property Insights of Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane
The XLogP value of 3.5875 indicates that Benzyl[2-nitro-5-(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 Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane. Following Lipinski's Rule of Five, Benzyl[2-nitro-5-(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 Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane?
The CAS number of Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane is 866137-59-9.
What is the molecular formula of Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane?
The molecular formula of Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane is C14H10F3NO4S.
What is the molecular weight of Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane?
The molecular weight of Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane is 345.03 g/mol.
Where can I buy Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane?
You can request a quote for Benzyl[2-nitro-5-(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 Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane?
Yes, KEHONG BIO provides custom synthesis services for Benzyl[2-nitro-5-(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.