Ethyl 4-hydroxynicotinate
TL;DR: Ethyl 4-hydroxynicotinate (CAS 58394-58-4) 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.
ethyl 4-oxo-1H-pyridine-3-carboxylate
Also Known As: ethyl 4-hydroxynicotinate, Ethyl 4-oxo-1,4-dihydropyridine-3-carboxylate, 4-Hydroxy-nicotinic acid ethyl ester, 6,3-dimethoxyflavone, ethyl 4-oxo-1H-pyridine-3-carboxylate
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 0.5516 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 329.0749 |
Chemical Identifiers
| CAS Number | 58394-58-4 |
|---|---|
| SMILES | CCOC(=O)C1=CNC=CC1=O |
Product Overview
Ethyl 4-hydroxynicotinate (CAS 58394-58-4), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: ethyl 4-oxo-1H-pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 4-hydroxynicotinate
Property Insights of Ethyl 4-hydroxynicotinate
The XLogP value of 0.5516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxynicotinate. With a topological polar surface area (TPSA) of 59.16 Ų, Ethyl 4-hydroxynicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-hydroxynicotinate has 1 hydrogen bond donor(s) and 3 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 4-hydroxynicotinate?
The CAS number of Ethyl 4-hydroxynicotinate is 58394-58-4.
What is the molecular formula of Ethyl 4-hydroxynicotinate?
The molecular formula of Ethyl 4-hydroxynicotinate is C8H9NO3.
What is the molecular weight of Ethyl 4-hydroxynicotinate?
The molecular weight of Ethyl 4-hydroxynicotinate is 167.06 g/mol.
Where can I buy Ethyl 4-hydroxynicotinate?
You can request a quote for Ethyl 4-hydroxynicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-hydroxynicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxynicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.