Ethyl 3-ethoxy-4-nitrobenzoate
TL;DR: Ethyl 3-ethoxy-4-nitrobenzoate (CAS 342044-63-7) 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 3-ethoxy-4-nitrobenzoate
Also Known As: ethyl 3-ethoxy-4-nitrobenzoate, Ethyl3-Ethoxy-4-nitrobenzoate, ethyl 3-ethoxy-4-nitro-benzoate, 3-ethoxy-4-nitrobenzoic acid ethyl ester, Benzoic acid, 3-ethoxy-4-nitro-, ethyl ester
| 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 | 342044-63-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C(=O)OCC)[N+](=O)[O-] |
Product Overview
Ethyl 3-ethoxy-4-nitrobenzoate (CAS 342044-63-7), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: ethyl 3-ethoxy-4-nitrobenzoate.
Chemical Property Profile of Ethyl 3-ethoxy-4-nitrobenzoate
Property Insights of Ethyl 3-ethoxy-4-nitrobenzoate
The XLogP value of 2.1702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-ethoxy-4-nitrobenzoate. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-ethoxy-4-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 3-ethoxy-4-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 3-ethoxy-4-nitrobenzoate?
The CAS number of Ethyl 3-ethoxy-4-nitrobenzoate is 342044-63-7.
What is the molecular formula of Ethyl 3-ethoxy-4-nitrobenzoate?
The molecular formula of Ethyl 3-ethoxy-4-nitrobenzoate is C11H13NO5.
What is the molecular weight of Ethyl 3-ethoxy-4-nitrobenzoate?
The molecular weight of Ethyl 3-ethoxy-4-nitrobenzoate is 239.08 g/mol.
Where can I buy Ethyl 3-ethoxy-4-nitrobenzoate?
You can request a quote for Ethyl 3-ethoxy-4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-ethoxy-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-ethoxy-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.