![2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene structure](/static/products/1046/1046-79-3.webp)
2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene
TL;DR: 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene (CAS 1046-79-3) is a chemical compound with molecular formula C13H9N3O7S and molecular weight 351.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene
Also Known As: 2,4-dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene, Benzene,2,4-dinitro-1-[[(4-nitrophenyl)methyl]sulfinyl]-, 2,4-DINITRO-1-[(4-NITROPHENYL)METHANESULFINYL]BENZENE
| Molecular Formula | C13H9N3O7S |
|---|---|
| Molecular Weight | 351.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.0161 |
| Heavy Atoms | 24 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 1046-79-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CS(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WPWUODKDLNQVBS-UHFFFAOYSA-N |
Product Overview
2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene (CAS 1046-79-3), with molecular formula C13H9N3O7S and molecular weight 351.02 g/mol. IUPAC: 2,4-dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene.
Chemical Property Profile of 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene
Property Insights of 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene. The TPSA of 174.0 Ų indicates high polarity, suggesting 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene has 0 hydrogen bond donor(s) and 8 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 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene?
The CAS number of 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene is 1046-79-3.
What is the molecular formula of 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene?
The molecular formula of 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene is C13H9N3O7S.
What is the molecular weight of 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene?
The molecular weight of 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene is 351.02 g/mol.
Where can I buy 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene?
You can request a quote for 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitro-1-[(4-nitrophenyl)methylsulfinyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.