ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate
TL;DR: ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate (CAS 289686-02-8) is a chemical compound with molecular formula C24H19ClN2O3S and molecular weight 450.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-cyano-4-methyl-2-phenylpyridine-3-carboxylate
Also Known As: ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate, Ethyl 6-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-cyano-4-methyl-2-phenyl-pyridine-3-carboxylate, ethyl 6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-cyano-4-methyl-2-phenylpyridine-3-carboxylate, ethyl 6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-4-methyl-2-phenylpyridine-3-carboxylate
| Molecular Formula | C24H19ClN2O3S |
|---|---|
| Molecular Weight | 450.08 g/mol |
| LogP | 5.7338 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.0805 |
| Heavy Atoms | 31 |
| Complexity | 1156.1823 |
Chemical Identifiers
| CAS Number | 289686-02-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate (CAS 289686-02-8), with molecular formula C24H19ClN2O3S and molecular weight 450.08 g/mol. IUPAC: ethyl 6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-cyano-4-methyl-2-phenylpyridine-3-carboxylate.
Chemical Property Profile of ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate
Property Insights of ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate
The XLogP value of 5.7338 indicates that ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-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 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate. Following Lipinski's Rule of Five, ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-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 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate?
The CAS number of ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate is 289686-02-8.
What is the molecular formula of ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate?
The molecular formula of ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate is C24H19ClN2O3S.
What is the molecular weight of ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate?
The molecular weight of ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate is 450.08 g/mol.
Where can I buy ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate?
You can request a quote for ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-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 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-4-methyl-2-phenylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.