1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene
TL;DR: 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene (CAS 57864-63-8) 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-2-(4-nitrophenyl)sulfonylbenzene
Also Known As: 2,4'-dinitrophenyl sulfone, 1-nitro-2-(4-nitrobenzenesulfonyl)benzene, 2-Nitrophenyl 4-nitrophenyl sulfone, 1-nitro-2-((4-nitrophenyl)sulfonyl)benzene, 2,4 -Dinitro[sulfonylbisbenzene]
| Molecular Formula | C12H8N2O6S |
|---|---|
| Molecular Weight | 308.01 g/mol |
| LogP | 2.3358 |
| Topological Polar Surface Area | 120.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0103 |
| Heavy Atoms | 21 |
| Complexity | 813.89624 |
Chemical Identifiers
| CAS Number | 57864-63-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene (CAS 57864-63-8), with molecular formula C12H8N2O6S and molecular weight 308.01 g/mol. IUPAC: 1-nitro-2-(4-nitrophenyl)sulfonylbenzene.
Chemical Property Profile of 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene
Property Insights of 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene
The XLogP value of 2.3358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene. The TPSA of 120.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene. Following Lipinski's Rule of Five, 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene 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 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene?
The CAS number of 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene is 57864-63-8.
What is the molecular formula of 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene?
The molecular formula of 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene is C12H8N2O6S.
What is the molecular weight of 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene?
The molecular weight of 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene is 308.01 g/mol.
Where can I buy 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene?
You can request a quote for 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-2-((4-nitrophenyl)sulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.