1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene
TL;DR: 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene (CAS 39549-05-8) is a chemical compound with molecular formula C14H12N2O4S2 and molecular weight 336.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-[[(4-nitrophenyl)methyldisulfanyl]methyl]benzene
Also Known As: p-nitrobenzyl disulfide, Bis(4-nitrobenzyl) disulfide, Bis(p-nitrobenzyl) disulfide, Bis(4-nitrobenzyl) persulfide, Disulfide, bis(p-nitrobenzyl)
| Molecular Formula | C14H12N2O4S2 |
|---|---|
| Molecular Weight | 336.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.02383 |
| Heavy Atoms | 22 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 39549-05-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CSSCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HYVAFODEZAVFOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene (CAS 39549-05-8), with molecular formula C14H12N2O4S2 and molecular weight 336.02 g/mol. IUPAC: 1-nitro-4-[[(4-nitrophenyl)methyldisulfanyl]methyl]benzene.
Chemical Property Profile of 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene
Property Insights of 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene
The XLogP value of 3.6 indicates that 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene has 0 hydrogen bond donor(s) and 6 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 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene?
The CAS number of 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene is 39549-05-8.
What is the molecular formula of 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene?
The molecular formula of 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene is C14H12N2O4S2.
What is the molecular weight of 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene?
The molecular weight of 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene is 336.02 g/mol.
Where can I buy 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene?
You can request a quote for 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-(((4-nitrobenzyl)dithio)methyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.