Ethyl 2-(4-nitrophenyl)propionate
TL;DR: Ethyl 2-(4-nitrophenyl)propionate (CAS 50712-64-6) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-nitrophenyl)propanoate
Also Known As: ethyl 2-(4-nitrophenyl)propanoate, Ethyl 2-(4-nitrophenyl)propionate, ethyl2- propionate, EINECS 256-732-8, ethyl2-(4-nitrophenyl)propanoate
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.2614 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 385.47595 |
Chemical Identifiers
| CAS Number | 50712-64-6 |
|---|---|
| SMILES | CCOC(=O)C(C)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Ethyl 2-(4-nitrophenyl)propionate (CAS 50712-64-6), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: ethyl 2-(4-nitrophenyl)propanoate.
Chemical Property Profile of Ethyl 2-(4-nitrophenyl)propionate
Property Insights of Ethyl 2-(4-nitrophenyl)propionate
The XLogP value of 2.2614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-nitrophenyl)propionate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-nitrophenyl)propionate. Following Lipinski's Rule of Five, Ethyl 2-(4-nitrophenyl)propionate has 0 hydrogen bond donor(s) and 4 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-(4-nitrophenyl)propionate?
The CAS number of Ethyl 2-(4-nitrophenyl)propionate is 50712-64-6.
What is the molecular formula of Ethyl 2-(4-nitrophenyl)propionate?
The molecular formula of Ethyl 2-(4-nitrophenyl)propionate is C11H13NO4.
What is the molecular weight of Ethyl 2-(4-nitrophenyl)propionate?
The molecular weight of Ethyl 2-(4-nitrophenyl)propionate is 223.08 g/mol.
Where can I buy Ethyl 2-(4-nitrophenyl)propionate?
You can request a quote for Ethyl 2-(4-nitrophenyl)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-nitrophenyl)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-nitrophenyl)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.