2,6-Dinitro-4-(pentan-2-yl)phenol
TL;DR: 2,6-Dinitro-4-(pentan-2-yl)phenol (CAS 5354-87-0) is a chemical compound with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitro-4-pentan-2-ylphenol
Also Known As: 2,6-dinitro-4-(pentan-2-yl)phenol, 2,6-dinitro-4-pentan-2-ylphenol, 4-(1-Methyl-butyl)-2,6-dinitro-phenol, 2-[4-Hydroxy-3,5-dinitro-phenyl]-pentan
| Molecular Formula | C11H14N2O5 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.09027 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 5354-87-0 |
|---|---|
| SMILES | CCCC(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | FMQYNJAZGOHAHT-UHFFFAOYSA-N |
Product Overview
2,6-Dinitro-4-(pentan-2-yl)phenol (CAS 5354-87-0), with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol. IUPAC: 2,6-dinitro-4-pentan-2-ylphenol.
Chemical Property Profile of 2,6-Dinitro-4-(pentan-2-yl)phenol
Property Insights of 2,6-Dinitro-4-(pentan-2-yl)phenol
The XLogP value of 4.0 indicates that 2,6-Dinitro-4-(pentan-2-yl)phenol 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-(pentan-2-yl)phenol. Following Lipinski's Rule of Five, 2,6-Dinitro-4-(pentan-2-yl)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 2,6-Dinitro-4-(pentan-2-yl)phenol?
The CAS number of 2,6-Dinitro-4-(pentan-2-yl)phenol is 5354-87-0.
What is the molecular formula of 2,6-Dinitro-4-(pentan-2-yl)phenol?
The molecular formula of 2,6-Dinitro-4-(pentan-2-yl)phenol is C11H14N2O5.
What is the molecular weight of 2,6-Dinitro-4-(pentan-2-yl)phenol?
The molecular weight of 2,6-Dinitro-4-(pentan-2-yl)phenol is 254.09 g/mol.
Where can I buy 2,6-Dinitro-4-(pentan-2-yl)phenol?
You can request a quote for 2,6-Dinitro-4-(pentan-2-yl)phenol 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-(pentan-2-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dinitro-4-(pentan-2-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.