![2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]- structure](/static/products/3694/36942-29-7.webp)
2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-
TL;DR: 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]- (CAS 36942-29-7) is a chemical compound with molecular formula C12H7N3O5 and molecular weight 273.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dinitrophenyl)iminocyclohexa-2,5-dien-1-one
Also Known As: 4-(2,4-dinitrophenyl)iminocyclohexa-2,5-dien-1-one, 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-, N-(2,4-dinitrophenyl)-1,4-benzoquinone imine, 2,5-Cyclohexadien-1-one,4-[(2,4-dinitrophenyl)imino], 4-[(2,4-DINITROPHENYL)IMINO]CYCLOHEXA-2,5-DIEN-1-ONE
| Molecular Formula | C12H7N3O5 |
|---|---|
| Molecular Weight | 273.04 g/mol |
| LogP | 2.2706 |
| Topological Polar Surface Area | 115.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.03857 |
| Heavy Atoms | 20 |
| Complexity | 685.0444 |
Chemical Identifiers
| CAS Number | 36942-29-7 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]- (CAS 36942-29-7), with molecular formula C12H7N3O5 and molecular weight 273.04 g/mol. IUPAC: 4-(2,4-dinitrophenyl)iminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-
Property Insights of 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-
The XLogP value of 2.2706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-. The TPSA of 115.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-. Following Lipinski's Rule of Five, 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]- 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 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-?
The CAS number of 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]- is 36942-29-7.
What is the molecular formula of 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-?
The molecular formula of 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]- is C12H7N3O5.
What is the molecular weight of 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-?
The molecular weight of 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]- is 273.04 g/mol.
Where can I buy 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-?
You can request a quote for 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.