Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate
TL;DR: Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate (CAS 313379-70-3) is a chemical compound with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-3-oxobutanoate
Also Known As: ethyl 4-[(5-cyano-2,3'-bipyridin-6-yl)thio]-3-oxobutanoate, A0372/0017109, ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate, ethyl 4-((5-cyano-[2,3'-bipyridin]-6-yl)thio)-3-oxobutanoate, ethyl 4-(3-cyano-6-(3-pyridyl)(2-pyridylthio))-3-oxobutanoate
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 2.62968 |
| Topological Polar Surface Area | 92.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 772.3954 |
Chemical Identifiers
| CAS Number | 313379-70-3 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C=CC(=N1)C2=CN=CC=C2)C#N |
Product Overview
Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate (CAS 313379-70-3), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: ethyl 4-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate
Property Insights of Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate
The XLogP value of 2.62968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate. The TPSA of 92.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate has 0 hydrogen bond donor(s) and 7 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-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
The CAS number of Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate is 313379-70-3.
What is the molecular formula of Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
The molecular formula of Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate is C17H15N3O3S.
What is the molecular weight of Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
The molecular weight of Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate is 341.08 g/mol.
Where can I buy Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
You can request a quote for Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-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-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.