Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate
TL;DR: Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate (CAS 59503-67-2) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
Also Known As: ethyl 5-acetyl-6-hydroxy-2-methylnicotinate, ethyl 5-acetyl-6-hydroxy-2-methylpyridine-3-carboxylate, ethyl 5-acetyl-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate, ethyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate, 5-ACETYL-6-HYDROXY-2-METHYL-NICOTINIC ACID ETHYL ESTER
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 1.06262 |
| Topological Polar Surface Area | 76.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 487.2482 |
Chemical Identifiers
| CAS Number | 59503-67-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)C(=C1)C(=O)C)C |
Product Overview
Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate (CAS 59503-67-2), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: ethyl 5-acetyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate
Property Insights of Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate
The XLogP value of 1.06262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate. The TPSA of 76.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate. Following Lipinski's Rule of Five, Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate 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 Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate?
The CAS number of Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate is 59503-67-2.
What is the molecular formula of Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate?
The molecular formula of Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate is C11H13NO4.
What is the molecular weight of Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate?
The molecular weight of Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate is 223.08 g/mol.
Where can I buy Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate?
You can request a quote for Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-acetyl-6-hydroxy-2-methylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.