2,4-Dinitrophenyl acetate
TL;DR: 2,4-Dinitrophenyl acetate (CAS 4232-27-3) 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.
(2,4-dinitrophenyl) acetate
Also Known As: 2,4-DINITROPHENYL ACETATE, (2,4-dinitrophenyl) acetate, 2,4-dinitrophenylacetate, Phenol, 2,4-dinitro-, 1-acetate, Phenol, 2,4-dinitro-, acetate (ester)
| Molecular Formula | C8H6N2O6 |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.02258 |
| Heavy Atoms | 16 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 4232-27-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CDMLJWCAUSWULM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dinitrophenyl acetate (CAS 4232-27-3), with molecular formula C8H6N2O6 and molecular weight 226.02 g/mol. IUPAC: (2,4-dinitrophenyl) acetate.
Chemical Property Profile of 2,4-Dinitrophenyl acetate
Property Insights of 2,4-Dinitrophenyl acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitrophenyl acetate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitrophenyl acetate. Following Lipinski's Rule of Five, 2,4-Dinitrophenyl acetate 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 2,4-Dinitrophenyl acetate?
The CAS number of 2,4-Dinitrophenyl acetate is 4232-27-3.
What is the molecular formula of 2,4-Dinitrophenyl acetate?
The molecular formula of 2,4-Dinitrophenyl acetate is C8H6N2O6.
What is the molecular weight of 2,4-Dinitrophenyl acetate?
The molecular weight of 2,4-Dinitrophenyl acetate is 226.02 g/mol.
Where can I buy 2,4-Dinitrophenyl acetate?
You can request a quote for 2,4-Dinitrophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitrophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.