4-Nitrophenyl phenyl sulfone
TL;DR: 4-Nitrophenyl phenyl sulfone (CAS 1146-39-0) is a chemical compound with molecular formula C12H9NO4S and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-nitrobenzene
Also Known As: 1-Nitro-4-(phenylsulfonyl)benzene, 4-nitrodiphenyl sulfone, 1-(benzenesulfonyl)-4-nitrobenzene, Khellinone, 4-Nitrodiphenylsulfone
| Molecular Formula | C12H9NO4S |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.02524 |
| Heavy Atoms | 18 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 1146-39-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | OECHJYYZMSUILG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl phenyl sulfone (CAS 1146-39-0), with molecular formula C12H9NO4S and molecular weight 263.03 g/mol. IUPAC: 1-(benzenesulfonyl)-4-nitrobenzene.
Chemical Property Profile of 4-Nitrophenyl phenyl sulfone
Property Insights of 4-Nitrophenyl phenyl sulfone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl phenyl sulfone. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl phenyl sulfone. Following Lipinski's Rule of Five, 4-Nitrophenyl phenyl 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 4-Nitrophenyl phenyl sulfone?
The CAS number of 4-Nitrophenyl phenyl sulfone is 1146-39-0.
What is the molecular formula of 4-Nitrophenyl phenyl sulfone?
The molecular formula of 4-Nitrophenyl phenyl sulfone is C12H9NO4S.
What is the molecular weight of 4-Nitrophenyl phenyl sulfone?
The molecular weight of 4-Nitrophenyl phenyl sulfone is 263.03 g/mol.
Where can I buy 4-Nitrophenyl phenyl sulfone?
You can request a quote for 4-Nitrophenyl phenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl phenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.