4-Methylsulfonyl-2-nitrophenyl disulfide
TL;DR: 4-Methylsulfonyl-2-nitrophenyl disulfide (CAS 7038-49-5) is a chemical compound with molecular formula C14H12N2O8S4 and molecular weight 463.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonyl-1-[(4-methylsulfonyl-2-nitrophenyl)disulfanyl]-2-nitrobenzene
Also Known As: 4-Methylsulfonyl-2-nitrophenyl disulfide, Bis[4-(methylsulfonyl)-2-nitrophenyl] disulfide, 1,1'-Dithiobis[4-(methylsulfonyl)-2-nitrobenzene], 1,1 -Dithiobis[2-nitro-4-(methylsulfonyl)benzene], 4-methanesulfonyl-1-[(4-methanesulfonyl-2-nitrophenyl)disulfanyl]-2-nitrobenzene
| Molecular Formula | C14H12N2O8S4 |
|---|---|
| Molecular Weight | 463.95 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 227.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.94766 |
| Heavy Atoms | 28 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 7038-49-5 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)SSC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | POSDVNCXZKFYDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylsulfonyl-2-nitrophenyl disulfide (CAS 7038-49-5), with molecular formula C14H12N2O8S4 and molecular weight 463.95 g/mol. IUPAC: 4-methylsulfonyl-1-[(4-methylsulfonyl-2-nitrophenyl)disulfanyl]-2-nitrobenzene.
Chemical Property Profile of 4-Methylsulfonyl-2-nitrophenyl disulfide
Property Insights of 4-Methylsulfonyl-2-nitrophenyl disulfide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylsulfonyl-2-nitrophenyl disulfide. The TPSA of 227.0 Ų indicates high polarity, suggesting 4-Methylsulfonyl-2-nitrophenyl disulfide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Methylsulfonyl-2-nitrophenyl disulfide has 0 hydrogen bond donor(s) and 10 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-Methylsulfonyl-2-nitrophenyl disulfide?
The CAS number of 4-Methylsulfonyl-2-nitrophenyl disulfide is 7038-49-5.
What is the molecular formula of 4-Methylsulfonyl-2-nitrophenyl disulfide?
The molecular formula of 4-Methylsulfonyl-2-nitrophenyl disulfide is C14H12N2O8S4.
What is the molecular weight of 4-Methylsulfonyl-2-nitrophenyl disulfide?
The molecular weight of 4-Methylsulfonyl-2-nitrophenyl disulfide is 463.95 g/mol.
Where can I buy 4-Methylsulfonyl-2-nitrophenyl disulfide?
You can request a quote for 4-Methylsulfonyl-2-nitrophenyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylsulfonyl-2-nitrophenyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylsulfonyl-2-nitrophenyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.