4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one
TL;DR: 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one (CAS 13356-89-3) is a chemical compound with molecular formula C12H7N3O6 and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dinitrophenoxy)iminocyclohexa-2,5-dien-1-one
Also Known As: 4-(2,4-dinitrophenoxy)iminocyclohexa-2,5-dien-1-one, [1,4]benzoquinone-mono-[O-(2,4-dinitro-phenyl)-oxime ]
| Molecular Formula | C12H7N3O6 |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 1.9329 |
| Topological Polar Surface Area | 124.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.03348 |
| Heavy Atoms | 21 |
| Complexity | 701.703 |
Chemical Identifiers
| CAS Number | 13356-89-3 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one (CAS 13356-89-3), with molecular formula C12H7N3O6 and molecular weight 289.03 g/mol. IUPAC: 4-(2,4-dinitrophenoxy)iminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one
Property Insights of 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one
The XLogP value of 1.9329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one. The TPSA of 124.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one. Following Lipinski's Rule of Five, 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one 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 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one?
The CAS number of 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one is 13356-89-3.
What is the molecular formula of 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one?
The molecular formula of 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one is C12H7N3O6.
What is the molecular weight of 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one?
The molecular weight of 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one is 289.03 g/mol.
Where can I buy 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one?
You can request a quote for 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Dinitrophenoxy)iminocyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.