2-Ethoxyisonicotinic acid
TL;DR: 2-Ethoxyisonicotinic acid (CAS 91940-86-2) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxypyridine-4-carboxylic acid
Also Known As: 2-Ethoxyisonicotinic acid, 2-ethoxypyridine-4-carboxylic acid, 2-Ethoxyisonicotinicacid, 2-Ethoxy-4-pyridinecarboxylic acid, Tetraethylammonium cyanide
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 91940-86-2 |
|---|---|
| SMILES | CCOC1=NC=CC(=C1)C(=O)O |
| InChIKey | ZGGJYLYCHXPTRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethoxyisonicotinic acid (CAS 91940-86-2), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 2-ethoxypyridine-4-carboxylic acid.
Chemical Property Profile of 2-Ethoxyisonicotinic acid
Property Insights of 2-Ethoxyisonicotinic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxyisonicotinic acid. With a topological polar surface area (TPSA) of 59.4 Ų, 2-Ethoxyisonicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxyisonicotinic acid has 1 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 2-Ethoxyisonicotinic acid?
The CAS number of 2-Ethoxyisonicotinic acid is 91940-86-2.
What is the molecular formula of 2-Ethoxyisonicotinic acid?
The molecular formula of 2-Ethoxyisonicotinic acid is C8H9NO3.
What is the molecular weight of 2-Ethoxyisonicotinic acid?
The molecular weight of 2-Ethoxyisonicotinic acid is 167.06 g/mol.
Where can I buy 2-Ethoxyisonicotinic acid?
You can request a quote for 2-Ethoxyisonicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxyisonicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxyisonicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.