Ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate
TL;DR: Ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate (CAS 370075-47-1) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-cyano-6-methyl-4-pyridin-3-yl-2-pyridinyl)sulfanyl]-3-oxobutanoate
Also Known As: BAS 07417564, ethyl 4-[(3'-cyano-6'-methyl-3,4'-bipyridin-2'-yl)thio]-3-oxobutanoate, ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate, ethyl 4-[(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]-3-oxobutanoate, 4-(3'-Cyano-6'-methyl-[3,4']bipyridinyl-2'-ylsulfanyl)-3-oxo-butyric acid ethyl
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 2.9381 |
| Topological Polar Surface Area | 92.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 816.3063 |
Chemical Identifiers
| CAS Number | 370075-47-1 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC(=CC(=C1C#N)C2=CN=CC=C2)C |
Product Overview
Ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate (CAS 370075-47-1), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: ethyl 4-[(3-cyano-6-methyl-4-pyridin-3-yl-2-pyridinyl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate
Property Insights of Ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate
The XLogP value of 2.9381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-cyano-6-methyl-4-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-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-(3-cyano-6-methyl-4-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-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
The CAS number of Ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate is 370075-47-1.
What is the molecular formula of Ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
The molecular formula of Ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate is C18H17N3O3S.
What is the molecular weight of Ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
The molecular weight of Ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate is 355.10 g/mol.
Where can I buy Ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
You can request a quote for Ethyl 4-(3-cyano-6-methyl-4-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-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.