2,6-Dinitro-4-octylphenol
TL;DR: 2,6-Dinitro-4-octylphenol (CAS 4097-33-0) is a chemical compound with molecular formula C14H20N2O5 and molecular weight 296.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitro-4-octylphenol
Also Known As: 2,6-DINITRO-4-OCTYLPHENOL, Phenol, 2,6-dinitro-4-octyl-, Phenol, 2,6dinitro4octyl, 2,6-DINITRO-4-OCTYLPHENOL [HSDB], J1.553.710H
| Molecular Formula | C14H20N2O5 |
|---|---|
| Molecular Weight | 296.14 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.1372 |
| Heavy Atoms | 21 |
| Complexity | 315.0 |
| Vapor Pressure | 0.00000001 [mmHg] |
Chemical Identifiers
| CAS Number | 4097-33-0 |
|---|---|
| SMILES | CCCCCCCCC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | NYGISSDEOKKXOE-UHFFFAOYSA-N |
Product Overview
2,6-Dinitro-4-octylphenol (CAS 4097-33-0), with molecular formula C14H20N2O5 and molecular weight 296.14 g/mol. IUPAC: 2,6-dinitro-4-octylphenol.
Chemical Property Profile of 2,6-Dinitro-4-octylphenol
Property Insights of 2,6-Dinitro-4-octylphenol
The XLogP value of 5.8 indicates that 2,6-Dinitro-4-octylphenol 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 2,6-Dinitro-4-octylphenol. Following Lipinski's Rule of Five, 2,6-Dinitro-4-octylphenol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Dinitro-4-octylphenol?
The CAS number of 2,6-Dinitro-4-octylphenol is 4097-33-0.
What is the molecular formula of 2,6-Dinitro-4-octylphenol?
The molecular formula of 2,6-Dinitro-4-octylphenol is C14H20N2O5.
What is the molecular weight of 2,6-Dinitro-4-octylphenol?
The molecular weight of 2,6-Dinitro-4-octylphenol is 296.14 g/mol.
Where can I buy 2,6-Dinitro-4-octylphenol?
You can request a quote for 2,6-Dinitro-4-octylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dinitro-4-octylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dinitro-4-octylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.