Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate
TL;DR: Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate (CAS 68085-40-5) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-ethoxy-2-oxo-1H-pyridine-3-carboxylate
Also Known As: ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate, ethyl 5-cyano-6-ethoxy-2-oxo-1H-pyridine-3-carboxylate, 2F-947, ethyl 5-cyano-6-ethoxy-2-hydroxypyridine-3-carboxylate, ethyl5-cyano-6-ethoxy-2-hydroxypyridine-3-carboxylate
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 0.82198 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 513.1832 |
Chemical Identifiers
| CAS Number | 68085-40-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=O)N1)C(=O)OCC)C#N |
Product Overview
Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate (CAS 68085-40-5), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: ethyl 5-cyano-6-ethoxy-2-oxo-1H-pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate
Property Insights of Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate
The XLogP value of 0.82198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate. Following Lipinski's Rule of Five, Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate 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 Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate?
The CAS number of Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate is 68085-40-5.
What is the molecular formula of Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate?
The molecular formula of Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate is C11H12N2O4.
What is the molecular weight of Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate?
The molecular weight of Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate is 236.08 g/mol.
Where can I buy Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate?
You can request a quote for Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-6-ethoxy-2-hydroxynicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.