![Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate structure](/static/products/4888/488854-46-2.webp)
Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
TL;DR: Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate (CAS 488854-46-2) is a chemical compound with molecular formula C18H15FN2O3S and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate
Also Known As: BAS 06900866, AM-807/12740171, ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate, ethyl 4-((3-cyano-6-(4-fluorophenyl)pyridin-2-yl)thio)-3-oxobutanoate, ethyl 4-[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl-3-oxobutanoate
| Molecular Formula | C18H15FN2O3S |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 3.37378 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.07874 |
| Heavy Atoms | 25 |
| Complexity | 816.06116 |
Chemical Identifiers
| CAS Number | 488854-46-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C=CC(=N1)C2=CC=C(C=C2)F)C#N |
Product Overview
Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate (CAS 488854-46-2), with molecular formula C18H15FN2O3S and molecular weight 358.08 g/mol. IUPAC: ethyl 4-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Property Insights of Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
The XLogP value of 3.37378 indicates that Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate has 0 hydrogen bond donor(s) and 6 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-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate?
The CAS number of Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate is 488854-46-2.
What is the molecular formula of Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate?
The molecular formula of Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate is C18H15FN2O3S.
What is the molecular weight of Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate?
The molecular weight of Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate is 358.08 g/mol.
Where can I buy Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate?
You can request a quote for Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.