ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate
TL;DR: ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate (CAS 370074-62-7) is a chemical compound with molecular formula C24H19BrN2O3S and molecular weight 494.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]sulfanyl]-3-oxobutanoate
Also Known As: ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate, Ethyl 4-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanyl-3-oxo-butanoate, ethyl 4-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl-3-oxobutanoate, ethyl 4-{[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl}-3-oxobutanoate
| Molecular Formula | C24H19BrN2O3S |
|---|---|
| Molecular Weight | 494.03 g/mol |
| LogP | 5.66418 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.02997 |
| Heavy Atoms | 31 |
| Complexity | 1126.0565 |
Chemical Identifiers
| CAS Number | 370074-62-7 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N |
Product Overview
ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate (CAS 370074-62-7), with molecular formula C24H19BrN2O3S and molecular weight 494.03 g/mol. IUPAC: ethyl 4-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate
Property Insights of ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate
The XLogP value of 5.66418 indicates that ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate 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 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate 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 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate?
The CAS number of ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate is 370074-62-7.
What is the molecular formula of ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate?
The molecular formula of ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate is C24H19BrN2O3S.
What is the molecular weight of ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate?
The molecular weight of ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate is 494.03 g/mol.
Where can I buy ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate?
You can request a quote for ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-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-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl)thio)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.