2,4-Dinitrophenetole
TL;DR: 2,4-Dinitrophenetole (CAS 610-54-8) is a chemical compound with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-2,4-dinitrobenzene
Also Known As: 2,4-DINITROPHENETOLE, 1-Ethoxy-2,4-dinitrobenzene, 2,4-Dinitrofenetol, 2,4-Dinitrophenyl ethyl ether, Phenetole, 2,4-dinitro-
| Molecular Formula | C8H8N2O5 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.04332 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 610-54-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YSOKMOXAGMIZFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dinitrophenetole (CAS 610-54-8), with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol. IUPAC: 1-ethoxy-2,4-dinitrobenzene.
Chemical Property Profile of 2,4-Dinitrophenetole
Property Insights of 2,4-Dinitrophenetole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitrophenetole. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitrophenetole. Following Lipinski's Rule of Five, 2,4-Dinitrophenetole 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 2,4-Dinitrophenetole?
The CAS number of 2,4-Dinitrophenetole is 610-54-8.
What is the molecular formula of 2,4-Dinitrophenetole?
The molecular formula of 2,4-Dinitrophenetole is C8H8N2O5.
What is the molecular weight of 2,4-Dinitrophenetole?
The molecular weight of 2,4-Dinitrophenetole is 212.04 g/mol.
Where can I buy 2,4-Dinitrophenetole?
You can request a quote for 2,4-Dinitrophenetole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitrophenetole?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrophenetole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.