Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate
TL;DR: Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate (CAS 63272-89-9) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate
Also Known As: ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate, Ethyl 3-oxo-2-(2-pyridinylmethylene)butanoate, 2-acetyl-3-pyridin-2-yl-acrylic acid ethyl ester, ethyl (2Z)-3-oxo-2-(pyridin-2-ylmethylidene)butanoate, Ethyl 3-oxo-2-[(pyridin-2-yl)methylidene]butanoate
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 63272-89-9 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CC=N1)C(=O)C |
| InChIKey | JCGPGDXPKWXSCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate (CAS 63272-89-9), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate.
Chemical Property Profile of Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate
Property Insights of Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate. With a topological polar surface area (TPSA) of 56.3 Ų, Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate 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-oxo-2-(pyridin-2-ylmethylidene)butanoate?
The CAS number of Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate is 63272-89-9.
What is the molecular formula of Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate?
The molecular formula of Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate is C12H13NO3.
What is the molecular weight of Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate?
The molecular weight of Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate is 219.09 g/mol.
Where can I buy Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate?
You can request a quote for Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-2-(pyridin-2-ylmethylidene)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.