(E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate
TL;DR: (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate (CAS 6954-28-5) 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 (2Z)-3-oxo-2-(pyridin-2-ylmethylidene)butanoate
Also Known As: (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate, Ethyl (2Z)-2-acetyl-3-(2-pyridinyl)-2-propenoate #, ethyl (2Z)-3-oxo-2-(pyridin-2-ylmethylidene)butanoate
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.6171 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 409.53186 |
Chemical Identifiers
| CAS Number | 6954-28-5 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CC=CC=N1)/C(=O)C |
Product Overview
(E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate (CAS 6954-28-5), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: ethyl (2Z)-3-oxo-2-(pyridin-2-ylmethylidene)butanoate.
Chemical Property Profile of (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate
Property Insights of (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate
The XLogP value of 1.6171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate. With a topological polar surface area (TPSA) of 56.26 Ų, (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-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 (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate?
The CAS number of (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate is 6954-28-5.
What is the molecular formula of (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate?
The molecular formula of (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate is C12H13NO3.
What is the molecular weight of (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate?
The molecular weight of (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate is 219.09 g/mol.
Where can I buy (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate?
You can request a quote for (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-Ethyl 3-oxo-2-(pyrid-2-yl)methylene-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.