![Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate structure](/static/products/340/340808-25-5.png)
Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate
TL;DR: Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate (CAS 340808-25-5) is a chemical compound with molecular formula C27H19FN2O2S and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetate
Also Known As: benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate, benzyl 2-((3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl)thio)acetate, Benzyl 2-[3-cyano-6-(4-fluorophenyl)-4-phenyl-pyridin-2-yl]sulfanylacetate, benzyl 2-[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanylacetate
| Molecular Formula | C27H19FN2O2S |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 6.26188 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.1151 |
| Heavy Atoms | 33 |
| Complexity | 1287.7627 |
Chemical Identifiers
| CAS Number | 340808-25-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C#N |
Product Overview
Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate (CAS 340808-25-5), with molecular formula C27H19FN2O2S and molecular weight 454.12 g/mol. IUPAC: benzyl 2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate
Property Insights of Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate
The XLogP value of 6.26188 indicates that Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate?
The CAS number of Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate is 340808-25-5.
What is the molecular formula of Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate?
The molecular formula of Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate is C27H19FN2O2S.
What is the molecular weight of Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate?
The molecular weight of Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate is 454.12 g/mol.
Where can I buy Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate?
You can request a quote for Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl {[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.