Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate
TL;DR: Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate (CAS 92041-81-1) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-2-(2-pyridin-2-ylethyl)butanoate
Also Known As: ethyl 2-acetyl-4-pirydylbutyrate, Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate, ethyl 3-oxo-2-(2-pyridin-2-ylethyl)butanoate, ethyl 3-oxo-2-[2-(2-pyridyl)ethyl]butanoate
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 92041-81-1 |
|---|---|
| SMILES | CCOC(=O)C(CCC1=CC=CC=N1)C(=O)C |
| InChIKey | HXTPGVVMOXURSQ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate (CAS 92041-81-1), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: ethyl 3-oxo-2-(2-pyridin-2-ylethyl)butanoate.
Chemical Property Profile of Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate
Property Insights of Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate. With a topological polar surface area (TPSA) of 56.3 Ų, Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)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-(2-(2-pyridinyl)ethyl)butanoate?
The CAS number of Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate is 92041-81-1.
What is the molecular formula of Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate?
The molecular formula of Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate is C13H17NO3.
What is the molecular weight of Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate?
The molecular weight of Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate is 235.12 g/mol.
Where can I buy Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate?
You can request a quote for Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)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-(2-(2-pyridinyl)ethyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.