2,4-Dinitro-6-(1'-methylheptyl)phenol
TL;DR: 2,4-Dinitro-6-(1'-methylheptyl)phenol (CAS 3687-22-7) 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.
2,4-dinitro-6-octan-2-ylphenol
Also Known As: 2,4-DINITRO-6-(1-METHYLHEPTYL)PHENOL, Meptyldinocap-phenol, 2,4-dinitro-6-octan-2-ylphenol, DNOP, 2,4-dinitro-6-(octan-2-yl)phenol
| 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 | 530.3408 |
Chemical Identifiers
| CAS Number | 3687-22-7 |
|---|---|
| SMILES | CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O |
Product Overview
2,4-Dinitro-6-(1'-methylheptyl)phenol (CAS 3687-22-7), with molecular formula C14H20N2O5 and molecular weight 296.14 g/mol. IUPAC: 2,4-dinitro-6-octan-2-ylphenol.
Chemical Property Profile of 2,4-Dinitro-6-(1'-methylheptyl)phenol
Property Insights of 2,4-Dinitro-6-(1'-methylheptyl)phenol
The XLogP value of 4.2825 indicates that 2,4-Dinitro-6-(1'-methylheptyl)phenol 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 2,4-Dinitro-6-(1'-methylheptyl)phenol. Following Lipinski's Rule of Five, 2,4-Dinitro-6-(1'-methylheptyl)phenol 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 2,4-Dinitro-6-(1'-methylheptyl)phenol?
The CAS number of 2,4-Dinitro-6-(1'-methylheptyl)phenol is 3687-22-7.
What is the molecular formula of 2,4-Dinitro-6-(1'-methylheptyl)phenol?
The molecular formula of 2,4-Dinitro-6-(1'-methylheptyl)phenol is C14H20N2O5.
What is the molecular weight of 2,4-Dinitro-6-(1'-methylheptyl)phenol?
The molecular weight of 2,4-Dinitro-6-(1'-methylheptyl)phenol is 296.14 g/mol.
Where can I buy 2,4-Dinitro-6-(1'-methylheptyl)phenol?
You can request a quote for 2,4-Dinitro-6-(1'-methylheptyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitro-6-(1'-methylheptyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitro-6-(1'-methylheptyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.