ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate
TL;DR: ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate (CAS 289686-01-7) is a chemical compound with molecular formula C24H20N2O3S and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-4-methyl-6-phenacylsulfanyl-2-phenylpyridine-3-carboxylate
Also Known As: ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate, ethyl 5-cyano-4-methyl-6-phenacylsulfanyl-2-phenylpyridine-3-carboxylate, ethyl 5-cyano-4-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenylpyridine-3-carboxylate
| Molecular Formula | C24H20N2O3S |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 5.0804 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.11948 |
| Heavy Atoms | 30 |
| Complexity | 1106.7902 |
Chemical Identifiers
| CAS Number | 289686-01-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate (CAS 289686-01-7), with molecular formula C24H20N2O3S and molecular weight 416.12 g/mol. IUPAC: ethyl 5-cyano-4-methyl-6-phenacylsulfanyl-2-phenylpyridine-3-carboxylate.
Chemical Property Profile of ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate
Property Insights of ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate
The XLogP value of 5.0804 indicates that ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate 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 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate. Following Lipinski's Rule of Five, ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate?
The CAS number of ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate is 289686-01-7.
What is the molecular formula of ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate?
The molecular formula of ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate is C24H20N2O3S.
What is the molecular weight of ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate?
The molecular weight of ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate is 416.12 g/mol.
Where can I buy ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate?
You can request a quote for ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-cyano-4-methyl-6-((2-oxo-2-phenylethyl)thio)-2-phenylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.