Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate
TL;DR: Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate (CAS 21683-58-9) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(6-methyl-3-pyridinyl)-3-oxopropanoate
Also Known As: ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate, 2-Methyl-5-ethoxymalonylpyridine, 3-Pyridinepropanoicacid, 6-methyl-b-oxo-,ethyl ester, Ethyl 3-(2-methyl-5-pyridyl)-3-oxopropionate, 6-methyl nicotinoyl acetic acid ethyl ester
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 21683-58-9 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CN=C(C=C1)C |
| InChIKey | CSTIAWJADKPHBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate (CAS 21683-58-9), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: ethyl 3-(6-methyl-3-pyridinyl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate
Property Insights of Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate. With a topological polar surface area (TPSA) of 56.3 Ų, Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate has 0 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 3-(6-methylpyridin-3-yl)-3-oxopropanoate?
The CAS number of Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate is 21683-58-9.
What is the molecular formula of Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate is C11H13NO3.
What is the molecular weight of Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate is 207.09 g/mol.
Where can I buy Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.