2-Isooctyl-4,6-dinitrophenol
TL;DR: 2-Isooctyl-4,6-dinitrophenol (CAS 41227-52-5) 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-methylheptyl)-4,6-dinitrophenol
Also Known As: 2-Isooctyl-4,6-dinitrophenol, EINECS 255-270-4, 2-(6-methylheptyl)-4,6-dinitrophenol, 2,4-Dinitro-6-(6-methylheptyl)phenol, Phenol,2-isooctyl-4,6-dinitro- (9CI)
| Molecular Formula | C14H20N2O5 |
|---|---|
| Molecular Weight | 296.14 g/mol |
| LogP | 3.9675 |
| Topological Polar Surface Area | 106.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 296.1372 |
| Heavy Atoms | 21 |
| Complexity | 528.3408 |
Chemical Identifiers
| CAS Number | 41227-52-5 |
|---|---|
| SMILES | CC(C)CCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O |
Product Overview
2-Isooctyl-4,6-dinitrophenol (CAS 41227-52-5), with molecular formula C14H20N2O5 and molecular weight 296.14 g/mol. IUPAC: 2-(6-methylheptyl)-4,6-dinitrophenol.
Chemical Property Profile of 2-Isooctyl-4,6-dinitrophenol
Property Insights of 2-Isooctyl-4,6-dinitrophenol
The XLogP value of 3.9675 indicates that 2-Isooctyl-4,6-dinitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isooctyl-4,6-dinitrophenol. Following Lipinski's Rule of Five, 2-Isooctyl-4,6-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 2-Isooctyl-4,6-dinitrophenol?
The CAS number of 2-Isooctyl-4,6-dinitrophenol is 41227-52-5.
What is the molecular formula of 2-Isooctyl-4,6-dinitrophenol?
The molecular formula of 2-Isooctyl-4,6-dinitrophenol is C14H20N2O5.
What is the molecular weight of 2-Isooctyl-4,6-dinitrophenol?
The molecular weight of 2-Isooctyl-4,6-dinitrophenol is 296.14 g/mol.
Where can I buy 2-Isooctyl-4,6-dinitrophenol?
You can request a quote for 2-Isooctyl-4,6-dinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isooctyl-4,6-dinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Isooctyl-4,6-dinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.