Phenol, 2-heptyl-4,6-dinitro-
TL;DR: Phenol, 2-heptyl-4,6-dinitro- (CAS 4099-66-5) is a chemical compound with molecular formula C13H18N2O5 and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptyl-4,6-dinitrophenol
Also Known As: 2-Heptyl-4,6-dinitrophenol, Phenol, 2-heptyl-4,6-dinitro-, 2,4-dinitro-6-heptylphenol, RefChem:369040
| Molecular Formula | C13H18N2O5 |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 3.7215 |
| Topological Polar Surface Area | 106.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 282.12158 |
| Heavy Atoms | 20 |
| Complexity | 501.78003 |
Chemical Identifiers
| CAS Number | 4099-66-5 |
|---|---|
| SMILES | CCCCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O |
Product Overview
Phenol, 2-heptyl-4,6-dinitro- (CAS 4099-66-5), with molecular formula C13H18N2O5 and molecular weight 282.12 g/mol. IUPAC: 2-heptyl-4,6-dinitrophenol.
Chemical Property Profile of Phenol, 2-heptyl-4,6-dinitro-
Property Insights of Phenol, 2-heptyl-4,6-dinitro-
The XLogP value of 3.7215 indicates that Phenol, 2-heptyl-4,6-dinitro- 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 Phenol, 2-heptyl-4,6-dinitro-. Following Lipinski's Rule of Five, Phenol, 2-heptyl-4,6-dinitro- 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 Phenol, 2-heptyl-4,6-dinitro-?
The CAS number of Phenol, 2-heptyl-4,6-dinitro- is 4099-66-5.
What is the molecular formula of Phenol, 2-heptyl-4,6-dinitro-?
The molecular formula of Phenol, 2-heptyl-4,6-dinitro- is C13H18N2O5.
What is the molecular weight of Phenol, 2-heptyl-4,6-dinitro-?
The molecular weight of Phenol, 2-heptyl-4,6-dinitro- is 282.12 g/mol.
Where can I buy Phenol, 2-heptyl-4,6-dinitro-?
You can request a quote for Phenol, 2-heptyl-4,6-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-heptyl-4,6-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-heptyl-4,6-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.