Benzene, 2,4-dinitro-1-(phenylsulfonyl)-
TL;DR: Benzene, 2,4-dinitro-1-(phenylsulfonyl)- (CAS 896-80-0) 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-(benzenesulfonyl)-2,4-dinitrobenzene
Also Known As: 2,4-Dinitrodiphenylsulfone, 2,4-Dinitrodiphenylsulphone, 2,4-diNO2Ph-SO2-Ph, 2,4-Dinitro-diphenyl-sulfone, 1-(benzenesulfonyl)-2,4-dinitrobenzene
| Molecular Formula | C12H8N2O6S |
|---|---|
| Molecular Weight | 308.01 g/mol |
| LogP | 2.5 |
| 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 | 497.0 |
Chemical Identifiers
| CAS Number | 896-80-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XGDSNKQDAAZGFA-UHFFFAOYSA-N |
Product Overview
Benzene, 2,4-dinitro-1-(phenylsulfonyl)- (CAS 896-80-0), with molecular formula C12H8N2O6S and molecular weight 308.01 g/mol. IUPAC: 1-(benzenesulfonyl)-2,4-dinitrobenzene.
Chemical Property Profile of Benzene, 2,4-dinitro-1-(phenylsulfonyl)-
Property Insights of Benzene, 2,4-dinitro-1-(phenylsulfonyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 2,4-dinitro-1-(phenylsulfonyl)-. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 2,4-dinitro-1-(phenylsulfonyl)-. Following Lipinski's Rule of Five, Benzene, 2,4-dinitro-1-(phenylsulfonyl)- 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, 2,4-dinitro-1-(phenylsulfonyl)-?
The CAS number of Benzene, 2,4-dinitro-1-(phenylsulfonyl)- is 896-80-0.
What is the molecular formula of Benzene, 2,4-dinitro-1-(phenylsulfonyl)-?
The molecular formula of Benzene, 2,4-dinitro-1-(phenylsulfonyl)- is C12H8N2O6S.
What is the molecular weight of Benzene, 2,4-dinitro-1-(phenylsulfonyl)-?
The molecular weight of Benzene, 2,4-dinitro-1-(phenylsulfonyl)- is 308.01 g/mol.
Where can I buy Benzene, 2,4-dinitro-1-(phenylsulfonyl)-?
You can request a quote for Benzene, 2,4-dinitro-1-(phenylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2,4-dinitro-1-(phenylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2,4-dinitro-1-(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.