Bis(4-chloro-3-nitrophenyl) sulphone
TL;DR: Bis(4-chloro-3-nitrophenyl) sulphone (CAS 1759-05-3) is a chemical compound with molecular formula C12H6Cl2N2O6S and molecular weight 375.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(4-chloro-3-nitrophenyl)sulfonyl-2-nitrobenzene
Also Known As: Bis(4-chloro-3-nitrophenyl) sulphone, bis(4-chloro-3-nitrophenyl) sulfone, 4,3'-dinitrodiphenyl sulfone, 3,4'-dichlorodiphenyl sulfone, Sulfone, bis(4-chloro-3-nitrophenyl)
| Molecular Formula | C12H6Cl2N2O6S |
|---|---|
| Molecular Weight | 375.93 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.93237 |
| Heavy Atoms | 23 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 1759-05-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | YSEMNCKHWQEMTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(4-chloro-3-nitrophenyl) sulphone (CAS 1759-05-3), with molecular formula C12H6Cl2N2O6S and molecular weight 375.93 g/mol. IUPAC: 1-chloro-4-(4-chloro-3-nitrophenyl)sulfonyl-2-nitrobenzene.
Chemical Property Profile of Bis(4-chloro-3-nitrophenyl) sulphone
Property Insights of Bis(4-chloro-3-nitrophenyl) sulphone
The XLogP value of 3.6 indicates that Bis(4-chloro-3-nitrophenyl) sulphone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(4-chloro-3-nitrophenyl) sulphone. Following Lipinski's Rule of Five, Bis(4-chloro-3-nitrophenyl) sulphone 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 Bis(4-chloro-3-nitrophenyl) sulphone?
The CAS number of Bis(4-chloro-3-nitrophenyl) sulphone is 1759-05-3.
What is the molecular formula of Bis(4-chloro-3-nitrophenyl) sulphone?
The molecular formula of Bis(4-chloro-3-nitrophenyl) sulphone is C12H6Cl2N2O6S.
What is the molecular weight of Bis(4-chloro-3-nitrophenyl) sulphone?
The molecular weight of Bis(4-chloro-3-nitrophenyl) sulphone is 375.93 g/mol.
Where can I buy Bis(4-chloro-3-nitrophenyl) sulphone?
You can request a quote for Bis(4-chloro-3-nitrophenyl) sulphone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-chloro-3-nitrophenyl) sulphone?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-chloro-3-nitrophenyl) sulphone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.