2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene
TL;DR: 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene (CAS 20834-66-6) is a chemical compound with molecular formula C12H7N3O6S and molecular weight 321.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-1-(4-nitrophenyl)sulfanylbenzene
Also Known As: 2,4-dinitro-1-(4-nitrophenyl)sulfanylbenzene, 2,4-dinitro-1-[(4-nitrophenyl)sulfanyl]benzene, 2,4-dinitro-1-(4-nitrophenyl)sulfanyl-benzene, AF-399/33192032
| Molecular Formula | C12H7N3O6S |
|---|---|
| Molecular Weight | 321.01 g/mol |
| LogP | 3.5624 |
| Topological Polar Surface Area | 129.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.00555 |
| Heavy Atoms | 22 |
| Complexity | 761.957 |
Chemical Identifiers
| CAS Number | 20834-66-6 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene (CAS 20834-66-6), with molecular formula C12H7N3O6S and molecular weight 321.01 g/mol. IUPAC: 2,4-dinitro-1-(4-nitrophenyl)sulfanylbenzene.
Chemical Property Profile of 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene
Property Insights of 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene
The XLogP value of 3.5624 indicates that 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene. Following Lipinski's Rule of Five, 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene has 0 hydrogen bond donor(s) and 7 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)sulfanylbenzene?
The CAS number of 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene is 20834-66-6.
What is the molecular formula of 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene?
The molecular formula of 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene is C12H7N3O6S.
What is the molecular weight of 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene?
The molecular weight of 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene is 321.01 g/mol.
Where can I buy 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene?
You can request a quote for 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene 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)sulfanylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitro-1-(4-nitrophenyl)sulfanylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.