3,4-Dimethyl-2,6-dinitrophenol
TL;DR: 3,4-Dimethyl-2,6-dinitrophenol (CAS 4097-61-4) 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.
3,4-dimethyl-2,6-dinitrophenol
Also Known As: 3,4-dimethyl-2,6-dinitrophenol, 3,4-dimethyl-2,6-dinitro-phenol, 2,6-dinitro-3,4-xylenol, 2,6-dinitro-3,4-dimethylphenol, AE-848/00235006
| Molecular Formula | C8H8N2O5 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.04332 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 4097-61-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | HWYUVFKGQPJIFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethyl-2,6-dinitrophenol (CAS 4097-61-4), with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol. IUPAC: 3,4-dimethyl-2,6-dinitrophenol.
Chemical Property Profile of 3,4-Dimethyl-2,6-dinitrophenol
Property Insights of 3,4-Dimethyl-2,6-dinitrophenol
The XLogP value of 3.0 indicates that 3,4-Dimethyl-2,6-dinitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dimethyl-2,6-dinitrophenol. Following Lipinski's Rule of Five, 3,4-Dimethyl-2,6-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 3,4-Dimethyl-2,6-dinitrophenol?
The CAS number of 3,4-Dimethyl-2,6-dinitrophenol is 4097-61-4.
What is the molecular formula of 3,4-Dimethyl-2,6-dinitrophenol?
The molecular formula of 3,4-Dimethyl-2,6-dinitrophenol is C8H8N2O5.
What is the molecular weight of 3,4-Dimethyl-2,6-dinitrophenol?
The molecular weight of 3,4-Dimethyl-2,6-dinitrophenol is 212.04 g/mol.
Where can I buy 3,4-Dimethyl-2,6-dinitrophenol?
You can request a quote for 3,4-Dimethyl-2,6-dinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyl-2,6-dinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-2,6-dinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.