Benzene, 1,1'-sulfonylbis(3-nitro-
TL;DR: Benzene, 1,1'-sulfonylbis(3-nitro- (CAS 1228-53-1) is a chemical compound with molecular formula C12H8N2O6S and molecular weight 308.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-(3-nitrophenyl)sulfonylbenzene
Also Known As: Bis(3-nitrophenyl)sulfone, 3,3'-Sulfonylbis(nitrobenzene), 3,3'-Dinitrodiphenyl sulfone, 3,3'-Dinitrodiphenylsulfone, Bis(m-nitrophenyl)sulfone
| Molecular Formula | C12H8N2O6S |
|---|---|
| Molecular Weight | 308.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.0103 |
| Heavy Atoms | 21 |
| Complexity | 463.0 |
| Solubility | 0.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 1228-53-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AKAXCFAQCKRJOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,1'-sulfonylbis(3-nitro- (CAS 1228-53-1), with molecular formula C12H8N2O6S and molecular weight 308.01 g/mol. IUPAC: 1-nitro-3-(3-nitrophenyl)sulfonylbenzene.
Chemical Property Profile of Benzene, 1,1'-sulfonylbis(3-nitro-
Property Insights of Benzene, 1,1'-sulfonylbis(3-nitro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1,1'-sulfonylbis(3-nitro-. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1,1'-sulfonylbis(3-nitro-. Following Lipinski's Rule of Five, Benzene, 1,1'-sulfonylbis(3-nitro- 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 Benzene, 1,1'-sulfonylbis(3-nitro-?
The CAS number of Benzene, 1,1'-sulfonylbis(3-nitro- is 1228-53-1.
What is the molecular formula of Benzene, 1,1'-sulfonylbis(3-nitro-?
The molecular formula of Benzene, 1,1'-sulfonylbis(3-nitro- is C12H8N2O6S.
What is the molecular weight of Benzene, 1,1'-sulfonylbis(3-nitro-?
The molecular weight of Benzene, 1,1'-sulfonylbis(3-nitro- is 308.01 g/mol.
Where can I buy Benzene, 1,1'-sulfonylbis(3-nitro-?
You can request a quote for Benzene, 1,1'-sulfonylbis(3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,1'-sulfonylbis(3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,1'-sulfonylbis(3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.