1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene
TL;DR: 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene (CAS 69106-60-1) is a chemical compound with molecular formula C13H9N3O7 and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dinitrophenoxy)-4-methyl-2-nitrobenzene
Also Known As: Octyl-sepharose, Octylagarose CL-4B, Octylsepharose CL-4B, Octyl-sepharose CL-4B, KST-1B7555
| Molecular Formula | C13H9N3O7 |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.04404 |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 69106-60-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IGUZGDCCALKUAT-UHFFFAOYSA-N |
Product Overview
1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene (CAS 69106-60-1), with molecular formula C13H9N3O7 and molecular weight 319.04 g/mol. IUPAC: 1-(2,4-dinitrophenoxy)-4-methyl-2-nitrobenzene.
Chemical Property Profile of 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene
Property Insights of 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene
The XLogP value of 3.0 indicates that 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene 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 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene?
The CAS number of 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene is 69106-60-1.
What is the molecular formula of 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene?
The molecular formula of 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene is C13H9N3O7.
What is the molecular weight of 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene?
The molecular weight of 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene is 319.04 g/mol.
Where can I buy 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene?
You can request a quote for 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dinitrophenoxy)-4-methyl-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.