Ethanone, 1-(4-chloro-3,5-dinitrophenyl)-
TL;DR: Ethanone, 1-(4-chloro-3,5-dinitrophenyl)- (CAS 52129-70-1) is a chemical compound with molecular formula C8H5ClN2O5 and molecular weight 243.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3,5-dinitrophenyl)ethanone
Also Known As: 4'-Chloro-3',5'-dinitroacetophenone, 1- ETHANONE, 1-(4-chloro-3,5-dinitrophenyl)ethanone, (Quinolin-8-yloxy)-acetic acid, Ethanone, 1-(4-chloro-3,5-dinitrophenyl)-
| Molecular Formula | C8H5ClN2O5 |
|---|---|
| Molecular Weight | 243.99 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.9887 |
| Heavy Atoms | 16 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 52129-70-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-] |
| InChIKey | HRQFCDXXFJOADN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(4-chloro-3,5-dinitrophenyl)- (CAS 52129-70-1), with molecular formula C8H5ClN2O5 and molecular weight 243.99 g/mol. IUPAC: 1-(4-chloro-3,5-dinitrophenyl)ethanone.
Chemical Property Profile of Ethanone, 1-(4-chloro-3,5-dinitrophenyl)-
Property Insights of Ethanone, 1-(4-chloro-3,5-dinitrophenyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4-chloro-3,5-dinitrophenyl)-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-chloro-3,5-dinitrophenyl)-. Following Lipinski's Rule of Five, Ethanone, 1-(4-chloro-3,5-dinitrophenyl)- has 0 hydrogen bond donor(s) and 5 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-chloro-3,5-dinitrophenyl)-?
The CAS number of Ethanone, 1-(4-chloro-3,5-dinitrophenyl)- is 52129-70-1.
What is the molecular formula of Ethanone, 1-(4-chloro-3,5-dinitrophenyl)-?
The molecular formula of Ethanone, 1-(4-chloro-3,5-dinitrophenyl)- is C8H5ClN2O5.
What is the molecular weight of Ethanone, 1-(4-chloro-3,5-dinitrophenyl)-?
The molecular weight of Ethanone, 1-(4-chloro-3,5-dinitrophenyl)- is 243.99 g/mol.
Where can I buy Ethanone, 1-(4-chloro-3,5-dinitrophenyl)-?
You can request a quote for Ethanone, 1-(4-chloro-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-chloro-3,5-dinitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-chloro-3,5-dinitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.