Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)-
TL;DR: Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)- (CAS 52129-61-0) is a chemical compound with molecular formula C8H6N2O6 and molecular weight 226.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxy-3,5-dinitrophenyl)ethanone
Also Known As: 4'-Hydroxy-3',5'-dinitroacetophenone, 1-(4-hydroxy-3,5-dinitrophenyl)ethanone, Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)-, 4-hydroxy-3,5-dinitroacetophenone, 1-{4-hydroxy-3,5-dinitrophenyl}ethanone
| Molecular Formula | C8H6N2O6 |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.02258 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 52129-61-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | FZUDMWLMAWINRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)- (CAS 52129-61-0), with molecular formula C8H6N2O6 and molecular weight 226.02 g/mol. IUPAC: 1-(4-hydroxy-3,5-dinitrophenyl)ethanone.
Chemical Property Profile of Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)-
Property Insights of Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)-. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)-. Following Lipinski's Rule of Five, Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)- has 1 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 Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)-?
The CAS number of Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)- is 52129-61-0.
What is the molecular formula of Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)-?
The molecular formula of Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)- is C8H6N2O6.
What is the molecular weight of Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)-?
The molecular weight of Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)- is 226.02 g/mol.
Where can I buy Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)-?
You can request a quote for Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-hydroxy-3,5-dinitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.