isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate
TL;DR: isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate (CAS 340817-53-0) is a chemical compound with molecular formula C25H21FN2O3S and molecular weight 448.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]sulfanyl]-3-oxobutanoate
Also Known As: isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate, isopropyl 4-{[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]sulfanyl}-3-oxobutanoate, propan-2-yl 4-[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl-3-oxobutanoate, propan-2-yl 4-{[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}-3-oxobutanoate, 4-[3-Cyano-6-(4-fluoro-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-3-oxo-butyric acid isopropyl ester
| Molecular Formula | C25H21FN2O3S |
|---|---|
| Molecular Weight | 448.13 g/mol |
| LogP | 5.42928 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.1257 |
| Heavy Atoms | 32 |
| Complexity | 1156.2997 |
Chemical Identifiers
| CAS Number | 340817-53-0 |
|---|---|
| SMILES | CC(C)OC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)F)C3=CC=CC=C3)C#N |
Product Overview
isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate (CAS 340817-53-0), with molecular formula C25H21FN2O3S and molecular weight 448.13 g/mol. IUPAC: propan-2-yl 4-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate
Property Insights of isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate
The XLogP value of 5.42928 indicates that isopropyl 4-((3-cyano-6-(4-fluorophenyl)-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 isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate. Following Lipinski's Rule of Five, isopropyl 4-((3-cyano-6-(4-fluorophenyl)-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 isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate?
The CAS number of isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate is 340817-53-0.
What is the molecular formula of isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate?
The molecular formula of isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate is C25H21FN2O3S.
What is the molecular weight of isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate?
The molecular weight of isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate is 448.13 g/mol.
Where can I buy isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate?
You can request a quote for isopropyl 4-((3-cyano-6-(4-fluorophenyl)-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 isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 4-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.