4-(1-Methylheptyl)-2,6-dinitrophenol
TL;DR: 4-(1-Methylheptyl)-2,6-dinitrophenol (CAS 4095-54-9) 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-octan-2-ylphenol
Also Known As: 4-(1-Methylheptyl)-2,6-dinitrophenol, 2,6-dinitro-4-octan-2-ylphenol, 3-Cyclohexene, 1-hydroperoxy-, 2,6-Dinitro-4-(octan-2-yl)phenol, Phenol, 4-(1-methylheptyl)-2,6-dinitro-
| Molecular Formula | C14H20N2O5 |
|---|---|
| Molecular Weight | 296.14 g/mol |
| LogP | 4.2825 |
| 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 | 495.09082 |
Chemical Identifiers
| CAS Number | 4095-54-9 |
|---|---|
| SMILES | CCCCCCC(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-] |
Product Overview
4-(1-Methylheptyl)-2,6-dinitrophenol (CAS 4095-54-9), with molecular formula C14H20N2O5 and molecular weight 296.14 g/mol. IUPAC: 2,6-dinitro-4-octan-2-ylphenol.
Chemical Property Profile of 4-(1-Methylheptyl)-2,6-dinitrophenol
Property Insights of 4-(1-Methylheptyl)-2,6-dinitrophenol
The XLogP value of 4.2825 indicates that 4-(1-Methylheptyl)-2,6-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 4-(1-Methylheptyl)-2,6-dinitrophenol. Following Lipinski's Rule of Five, 4-(1-Methylheptyl)-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 4-(1-Methylheptyl)-2,6-dinitrophenol?
The CAS number of 4-(1-Methylheptyl)-2,6-dinitrophenol is 4095-54-9.
What is the molecular formula of 4-(1-Methylheptyl)-2,6-dinitrophenol?
The molecular formula of 4-(1-Methylheptyl)-2,6-dinitrophenol is C14H20N2O5.
What is the molecular weight of 4-(1-Methylheptyl)-2,6-dinitrophenol?
The molecular weight of 4-(1-Methylheptyl)-2,6-dinitrophenol is 296.14 g/mol.
Where can I buy 4-(1-Methylheptyl)-2,6-dinitrophenol?
You can request a quote for 4-(1-Methylheptyl)-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 4-(1-Methylheptyl)-2,6-dinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Methylheptyl)-2,6-dinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.