4-Ethoxy-2-nitrobenzoic acid
TL;DR: 4-Ethoxy-2-nitrobenzoic acid (CAS 103440-98-8) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-2-nitrobenzoic acid
Also Known As: 4-ethoxy-2-nitrobenzoic acid, 4-ethoxy-2-nitro-benzoic acid, 4-ethoxy-2-nitrobenzoicacid, Benzoic acid, 4-ethoxy-2-nitro- (6CI)
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 103440-98-8 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | ASIBMPOSLZTHOI-UHFFFAOYSA-N |
Product Overview
4-Ethoxy-2-nitrobenzoic acid (CAS 103440-98-8), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: 4-ethoxy-2-nitrobenzoic acid.
Chemical Property Profile of 4-Ethoxy-2-nitrobenzoic acid
Property Insights of 4-Ethoxy-2-nitrobenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-2-nitrobenzoic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethoxy-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Ethoxy-2-nitrobenzoic acid has 1 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 4-Ethoxy-2-nitrobenzoic acid?
The CAS number of 4-Ethoxy-2-nitrobenzoic acid is 103440-98-8.
What is the molecular formula of 4-Ethoxy-2-nitrobenzoic acid?
The molecular formula of 4-Ethoxy-2-nitrobenzoic acid is C9H9NO5.
What is the molecular weight of 4-Ethoxy-2-nitrobenzoic acid?
The molecular weight of 4-Ethoxy-2-nitrobenzoic acid is 211.05 g/mol.
Where can I buy 4-Ethoxy-2-nitrobenzoic acid?
You can request a quote for 4-Ethoxy-2-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxy-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.