Ethyl 2-ethoxy-5-nitrobenzoate
TL;DR: Ethyl 2-ethoxy-5-nitrobenzoate (CAS 80074-90-4) 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-ethoxy-5-nitrobenzoate
Also Known As: ethyl 2-ethoxy-5-nitrobenzoate, ethyl2-ethoxy-5-nitrobenzoate, ethyl 2-ethoxy-5-nitro-benzoate
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 2.1702 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 429.87 |
Chemical Identifiers
| CAS Number | 80074-90-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC |
Product Overview
Ethyl 2-ethoxy-5-nitrobenzoate (CAS 80074-90-4), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: ethyl 2-ethoxy-5-nitrobenzoate.
Chemical Property Profile of Ethyl 2-ethoxy-5-nitrobenzoate
Property Insights of Ethyl 2-ethoxy-5-nitrobenzoate
The XLogP value of 2.1702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-ethoxy-5-nitrobenzoate. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-ethoxy-5-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 2-ethoxy-5-nitrobenzoate 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-ethoxy-5-nitrobenzoate?
The CAS number of Ethyl 2-ethoxy-5-nitrobenzoate is 80074-90-4.
What is the molecular formula of Ethyl 2-ethoxy-5-nitrobenzoate?
The molecular formula of Ethyl 2-ethoxy-5-nitrobenzoate is C11H13NO5.
What is the molecular weight of Ethyl 2-ethoxy-5-nitrobenzoate?
The molecular weight of Ethyl 2-ethoxy-5-nitrobenzoate is 239.08 g/mol.
Where can I buy Ethyl 2-ethoxy-5-nitrobenzoate?
You can request a quote for Ethyl 2-ethoxy-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-ethoxy-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-ethoxy-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.