Palmitic acid, 4,6-dinitro-o-tolyl ester
TL;DR: Palmitic acid, 4,6-dinitro-o-tolyl ester (CAS 64046-73-7) is a chemical compound with molecular formula C23H36N2O6 and molecular weight 436.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4,6-dinitrophenyl) hexadecanoate
Also Known As: 4,6-Dinitro-o-tolyl palmitate, Palmitic acid, 4,6-dinitro-o-tolyl ester, 2-methyl-4,6-dinitrophenyl palmitate, 2-methyl-4,6-dinitrophenyl hexadecanoate, (2-methyl-4,6-dinitrophenyl) hexadecanoate
| Molecular Formula | C23H36N2O6 |
|---|---|
| Molecular Weight | 436.26 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 436.25732 |
| Heavy Atoms | 31 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 64046-73-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1C)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YHMHDXYEQCWMCT-UHFFFAOYSA-N |
Product Overview
Palmitic acid, 4,6-dinitro-o-tolyl ester (CAS 64046-73-7), with molecular formula C23H36N2O6 and molecular weight 436.26 g/mol. IUPAC: (2-methyl-4,6-dinitrophenyl) hexadecanoate.
Chemical Property Profile of Palmitic acid, 4,6-dinitro-o-tolyl ester
Property Insights of Palmitic acid, 4,6-dinitro-o-tolyl ester
The XLogP value of 9.0 indicates that Palmitic acid, 4,6-dinitro-o-tolyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Palmitic acid, 4,6-dinitro-o-tolyl ester. Following Lipinski's Rule of Five, Palmitic acid, 4,6-dinitro-o-tolyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Palmitic acid, 4,6-dinitro-o-tolyl ester?
The CAS number of Palmitic acid, 4,6-dinitro-o-tolyl ester is 64046-73-7.
What is the molecular formula of Palmitic acid, 4,6-dinitro-o-tolyl ester?
The molecular formula of Palmitic acid, 4,6-dinitro-o-tolyl ester is C23H36N2O6.
What is the molecular weight of Palmitic acid, 4,6-dinitro-o-tolyl ester?
The molecular weight of Palmitic acid, 4,6-dinitro-o-tolyl ester is 436.26 g/mol.
Where can I buy Palmitic acid, 4,6-dinitro-o-tolyl ester?
You can request a quote for Palmitic acid, 4,6-dinitro-o-tolyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Palmitic acid, 4,6-dinitro-o-tolyl ester?
Yes, KEHONG BIO provides custom synthesis services for Palmitic acid, 4,6-dinitro-o-tolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.