5-Ethyl-2,4-dinitrophenol
TL;DR: 5-Ethyl-2,4-dinitrophenol (CAS 6947-53-1) 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.
5-ethyl-2,4-dinitrophenol
Also Known As: 5-ethyl-2,4-dinitrophenol
| Molecular Formula | C8H8N2O5 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.04332 |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 6947-53-1 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | LAQLVAJTFUCYLF-UHFFFAOYSA-N |
Product Overview
5-Ethyl-2,4-dinitrophenol (CAS 6947-53-1), with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol. IUPAC: 5-ethyl-2,4-dinitrophenol.
Chemical Property Profile of 5-Ethyl-2,4-dinitrophenol
Property Insights of 5-Ethyl-2,4-dinitrophenol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-2,4-dinitrophenol. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-2,4-dinitrophenol. Following Lipinski's Rule of Five, 5-Ethyl-2,4-dinitrophenol has 1 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 5-Ethyl-2,4-dinitrophenol?
The CAS number of 5-Ethyl-2,4-dinitrophenol is 6947-53-1.
What is the molecular formula of 5-Ethyl-2,4-dinitrophenol?
The molecular formula of 5-Ethyl-2,4-dinitrophenol is C8H8N2O5.
What is the molecular weight of 5-Ethyl-2,4-dinitrophenol?
The molecular weight of 5-Ethyl-2,4-dinitrophenol is 212.04 g/mol.
Where can I buy 5-Ethyl-2,4-dinitrophenol?
You can request a quote for 5-Ethyl-2,4-dinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-2,4-dinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-2,4-dinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.