Ethyl 4-oxo-4-(pyridin-3-yl)butanoate
TL;DR: Ethyl 4-oxo-4-(pyridin-3-yl)butanoate (CAS 59086-27-0) 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 4-oxo-4-pyridin-3-ylbutanoate
Also Known As: ETHYL 4-OXO-4-(PYRIDIN-3-YL)BUTANOATE, Ethyl 4-oxo-4-(3-pyridyl)butyrate, ETHYL 4-OXO-4-(3-PYRIDYL)BUTANOATE, ethyl 4-oxo-4-pyridin-3-ylbutanoate, 4-OXO-4-PYRIDIN-3-YL-BUTYRIC ACID ETHYL ESTER
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.6076 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 334.94608 |
Chemical Identifiers
| CAS Number | 59086-27-0 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C1=CN=CC=C1 |
Product Overview
Ethyl 4-oxo-4-(pyridin-3-yl)butanoate (CAS 59086-27-0), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: ethyl 4-oxo-4-pyridin-3-ylbutanoate.
Chemical Property Profile of Ethyl 4-oxo-4-(pyridin-3-yl)butanoate
Property Insights of Ethyl 4-oxo-4-(pyridin-3-yl)butanoate
The XLogP value of 1.6076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-oxo-4-(pyridin-3-yl)butanoate. With a topological polar surface area (TPSA) of 56.26 Ų, Ethyl 4-oxo-4-(pyridin-3-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-oxo-4-(pyridin-3-yl)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 4-oxo-4-(pyridin-3-yl)butanoate?
The CAS number of Ethyl 4-oxo-4-(pyridin-3-yl)butanoate is 59086-27-0.
What is the molecular formula of Ethyl 4-oxo-4-(pyridin-3-yl)butanoate?
The molecular formula of Ethyl 4-oxo-4-(pyridin-3-yl)butanoate is C11H13NO3.
What is the molecular weight of Ethyl 4-oxo-4-(pyridin-3-yl)butanoate?
The molecular weight of Ethyl 4-oxo-4-(pyridin-3-yl)butanoate is 207.09 g/mol.
Where can I buy Ethyl 4-oxo-4-(pyridin-3-yl)butanoate?
You can request a quote for Ethyl 4-oxo-4-(pyridin-3-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-oxo-4-(pyridin-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-oxo-4-(pyridin-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.