![Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate structure](/static/products/3305/330557-77-2.webp)
Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate
TL;DR: Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate (CAS 330557-77-2) is a chemical compound with molecular formula C22H20N2O4S and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-cyano-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: BAS 00866164, UPCMLD0ENAT0510-6884:001, AE-848/37125098, ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate, F0192-0241
| Molecular Formula | C22H20N2O4S |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 4.11388 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.11438 |
| Heavy Atoms | 29 |
| Complexity | 966.2776 |
Chemical Identifiers
| CAS Number | 330557-77-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C#N |
Product Overview
Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate (CAS 330557-77-2), with molecular formula C22H20N2O4S and molecular weight 408.11 g/mol. IUPAC: ethyl 2-[[5-cyano-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate
Property Insights of Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate
The XLogP value of 4.11388 indicates that Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate. Following Lipinski's Rule of Five, Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate has 1 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 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate?
The CAS number of Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate is 330557-77-2.
What is the molecular formula of Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate?
The molecular formula of Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate is C22H20N2O4S.
What is the molecular weight of Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate?
The molecular weight of Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate is 408.11 g/mol.
Where can I buy Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate?
You can request a quote for Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3-cyano-6-oxo-4-(3-phenoxyphenyl)-2-1,4,5-trihydropyridylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.