2-Nitrophenyl 4-chlorophenyl sulfone
TL;DR: 2-Nitrophenyl 4-chlorophenyl sulfone (CAS 61645-34-9) is a chemical compound with molecular formula C12H8ClNO4S and molecular weight 296.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfonyl-2-nitrobenzene
Also Known As: Benzene,1'-sulfonylbis-, 2NO2Ph-SO2-4ClPh, 2-Nitrophenyl 4-chlorophenyl sulfone, 1-(4-chlorophenyl)sulfonyl-2-nitrobenzene, 4-chlorophenyl 2-nitrophenyl sulfone
| Molecular Formula | C12H8ClNO4S |
|---|---|
| Molecular Weight | 296.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.98627 |
| Heavy Atoms | 19 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 61645-34-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | QKTUYJALSXYYSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrophenyl 4-chlorophenyl sulfone (CAS 61645-34-9), with molecular formula C12H8ClNO4S and molecular weight 296.99 g/mol. IUPAC: 1-(4-chlorophenyl)sulfonyl-2-nitrobenzene.
Chemical Property Profile of 2-Nitrophenyl 4-chlorophenyl sulfone
Property Insights of 2-Nitrophenyl 4-chlorophenyl sulfone
The XLogP value of 3.3 indicates that 2-Nitrophenyl 4-chlorophenyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenyl 4-chlorophenyl sulfone. Following Lipinski's Rule of Five, 2-Nitrophenyl 4-chlorophenyl sulfone has 0 hydrogen bond donor(s) and 4 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 2-Nitrophenyl 4-chlorophenyl sulfone?
The CAS number of 2-Nitrophenyl 4-chlorophenyl sulfone is 61645-34-9.
What is the molecular formula of 2-Nitrophenyl 4-chlorophenyl sulfone?
The molecular formula of 2-Nitrophenyl 4-chlorophenyl sulfone is C12H8ClNO4S.
What is the molecular weight of 2-Nitrophenyl 4-chlorophenyl sulfone?
The molecular weight of 2-Nitrophenyl 4-chlorophenyl sulfone is 296.99 g/mol.
Where can I buy 2-Nitrophenyl 4-chlorophenyl sulfone?
You can request a quote for 2-Nitrophenyl 4-chlorophenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl 4-chlorophenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl 4-chlorophenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.