Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl)
TL;DR: Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl) (CAS 860-39-9) is a chemical compound with molecular formula C14H6F6N2O4S2 and molecular weight 443.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-1-[[2-nitro-4-(trifluoromethyl)phenyl]disulfanyl]-4-(trifluoromethyl)benzene
Also Known As: 2-Nitro-4-trifluoromethylphenyl disulfide, Nitrobenzene disulfide analog, Disulfide, bis[2-nitro-4-(trifluoromethyl)phenyl], 2-Hydroxyethyl phenyl sulfide, Bis[2-nitro-4-(trifluoromethyl)phenyl] disulfide
| Molecular Formula | C14H6F6N2O4S2 |
|---|---|
| Molecular Weight | 443.97 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.96732 |
| Heavy Atoms | 28 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 860-39-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | YDCXWQUDQRHVHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl) (CAS 860-39-9), with molecular formula C14H6F6N2O4S2 and molecular weight 443.97 g/mol. IUPAC: 2-nitro-1-[[2-nitro-4-(trifluoromethyl)phenyl]disulfanyl]-4-(trifluoromethyl)benzene.
Chemical Property Profile of Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl)
Property Insights of Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl)
The XLogP value of 5.1 indicates that Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl) has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl)?
The CAS number of Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl) is 860-39-9.
What is the molecular formula of Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl)?
The molecular formula of Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl) is C14H6F6N2O4S2.
What is the molecular weight of Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl)?
The molecular weight of Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl) is 443.97 g/mol.
Where can I buy Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl)?
You can request a quote for Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl)?
Yes, KEHONG BIO provides custom synthesis services for Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.