Ethyl 2-(2,4,6-trinitrophenoxy)propanoate
TL;DR: Ethyl 2-(2,4,6-trinitrophenoxy)propanoate (CAS 848942-39-2) is a chemical compound with molecular formula C11H11N3O9 and molecular weight 329.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,4,6-trinitrophenoxy)propanoate
Also Known As: 2-picryloxy-propionic acid ethyl ester, ethyl 2-(2,4,6-trinitrophenoxy)propanoate
| Molecular Formula | C11H11N3O9 |
|---|---|
| Molecular Weight | 329.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.04953 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 848942-39-2 |
|---|---|
| SMILES | CCOC(=O)C(C)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DPDZZRLKSLHRCI-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2,4,6-trinitrophenoxy)propanoate (CAS 848942-39-2), with molecular formula C11H11N3O9 and molecular weight 329.05 g/mol. IUPAC: ethyl 2-(2,4,6-trinitrophenoxy)propanoate.
Chemical Property Profile of Ethyl 2-(2,4,6-trinitrophenoxy)propanoate
Property Insights of Ethyl 2-(2,4,6-trinitrophenoxy)propanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2,4,6-trinitrophenoxy)propanoate. The TPSA of 173.0 Ų indicates high polarity, suggesting Ethyl 2-(2,4,6-trinitrophenoxy)propanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 2-(2,4,6-trinitrophenoxy)propanoate has 0 hydrogen bond donor(s) and 9 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 Ethyl 2-(2,4,6-trinitrophenoxy)propanoate?
The CAS number of Ethyl 2-(2,4,6-trinitrophenoxy)propanoate is 848942-39-2.
What is the molecular formula of Ethyl 2-(2,4,6-trinitrophenoxy)propanoate?
The molecular formula of Ethyl 2-(2,4,6-trinitrophenoxy)propanoate is C11H11N3O9.
What is the molecular weight of Ethyl 2-(2,4,6-trinitrophenoxy)propanoate?
The molecular weight of Ethyl 2-(2,4,6-trinitrophenoxy)propanoate is 329.05 g/mol.
Where can I buy Ethyl 2-(2,4,6-trinitrophenoxy)propanoate?
You can request a quote for Ethyl 2-(2,4,6-trinitrophenoxy)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2,4,6-trinitrophenoxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2,4,6-trinitrophenoxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.