2-Hexyl-4,6-dinitrophenol
TL;DR: 2-Hexyl-4,6-dinitrophenol (CAS 4099-65-4) is a chemical compound with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexyl-4,6-dinitrophenol
Also Known As: 2-Hexyl-4,6-dinitrophenol, Phenol, 2-hexyl-4,6-dinitro-, 2,4-DINITRO-6-HEXYLPHENOL, 223-863-7, EINECS 223-863-7
| Molecular Formula | C12H16N2O5 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.10593 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 4099-65-4 |
|---|---|
| SMILES | CCCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | UZZSJGULYYQOOY-UHFFFAOYSA-N |
Product Overview
2-Hexyl-4,6-dinitrophenol (CAS 4099-65-4), with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol. IUPAC: 2-hexyl-4,6-dinitrophenol.
Chemical Property Profile of 2-Hexyl-4,6-dinitrophenol
Property Insights of 2-Hexyl-4,6-dinitrophenol
The XLogP value of 4.8 indicates that 2-Hexyl-4,6-dinitrophenol 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-Hexyl-4,6-dinitrophenol. Following Lipinski's Rule of Five, 2-Hexyl-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-Hexyl-4,6-dinitrophenol?
The CAS number of 2-Hexyl-4,6-dinitrophenol is 4099-65-4.
What is the molecular formula of 2-Hexyl-4,6-dinitrophenol?
The molecular formula of 2-Hexyl-4,6-dinitrophenol is C12H16N2O5.
What is the molecular weight of 2-Hexyl-4,6-dinitrophenol?
The molecular weight of 2-Hexyl-4,6-dinitrophenol is 268.11 g/mol.
Where can I buy 2-Hexyl-4,6-dinitrophenol?
You can request a quote for 2-Hexyl-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-Hexyl-4,6-dinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexyl-4,6-dinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.