2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester
TL;DR: 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester (CAS 69404-00-8) is a chemical compound with molecular formula C11H9NO5 and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-nitro-1-benzofuran-2-carboxylate
Also Known As: Ethyl 5-nitrobenzofuran-2-carboxylate, ethyl 5-nitro-1-benzofuran-2-carboxylate, METHYLVIOLET, ethylnitrobenzofurancarboxylate, 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester
| Molecular Formula | C11H9NO5 |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | 2.5177 |
| Topological Polar Surface Area | 82.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.04807 |
| Heavy Atoms | 17 |
| Complexity | 586.5594 |
Chemical Identifiers
| CAS Number | 69404-00-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
Product Overview
2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester (CAS 69404-00-8), with molecular formula C11H9NO5 and molecular weight 235.05 g/mol. IUPAC: ethyl 5-nitro-1-benzofuran-2-carboxylate.
Chemical Property Profile of 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester
Property Insights of 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester
The XLogP value of 2.5177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester. The TPSA of 82.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester. Following Lipinski's Rule of Five, 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester 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 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester?
The CAS number of 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester is 69404-00-8.
What is the molecular formula of 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester?
The molecular formula of 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester is C11H9NO5.
What is the molecular weight of 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester?
The molecular weight of 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester is 235.05 g/mol.
Where can I buy 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester?
You can request a quote for 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.