Ethyl 2-(2-nitrophenoxy)propanoate
TL;DR: Ethyl 2-(2-nitrophenoxy)propanoate (CAS 13235-07-9) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-nitrophenoxy)propanoate
Also Known As: ethyl 2-(2-nitrophenoxy)propanoate, ethyl2-(2-nitrophenoxy)propanoate, Propanoic acid, 2-(2-nitrophenoxy)-, ethyl ester, 2-(2-Nitro-phenoxy)-propionic acid ethyl ester, RefChem:342396
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 13235-07-9 |
|---|---|
| SMILES | CCOC(=O)C(C)OC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | NYBPNCZBAGRYQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(2-nitrophenoxy)propanoate (CAS 13235-07-9), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: ethyl 2-(2-nitrophenoxy)propanoate.
Chemical Property Profile of Ethyl 2-(2-nitrophenoxy)propanoate
Property Insights of Ethyl 2-(2-nitrophenoxy)propanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-nitrophenoxy)propanoate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-nitrophenoxy)propanoate. Following Lipinski's Rule of Five, Ethyl 2-(2-nitrophenoxy)propanoate has 0 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 Ethyl 2-(2-nitrophenoxy)propanoate?
The CAS number of Ethyl 2-(2-nitrophenoxy)propanoate is 13235-07-9.
What is the molecular formula of Ethyl 2-(2-nitrophenoxy)propanoate?
The molecular formula of Ethyl 2-(2-nitrophenoxy)propanoate is C11H13NO5.
What is the molecular weight of Ethyl 2-(2-nitrophenoxy)propanoate?
The molecular weight of Ethyl 2-(2-nitrophenoxy)propanoate is 239.08 g/mol.
Where can I buy Ethyl 2-(2-nitrophenoxy)propanoate?
You can request a quote for Ethyl 2-(2-nitrophenoxy)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-nitrophenoxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-nitrophenoxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.