![benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate structure](/static/products/370/370841-82-0.png)
benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate
TL;DR: benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate (CAS 370841-82-0) is a chemical compound with molecular formula C27H20FNO3S and molecular weight 457.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl]acetate
Also Known As: benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate, benzyl 2-((3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl)thio)acetate, benzyl 2-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl]acetate
| Molecular Formula | C27H20FNO3S |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 6.19238 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.1148 |
| Heavy Atoms | 33 |
| Complexity | 1215.7311 |
Chemical Identifiers
| CAS Number | 370841-82-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CSC2=C(C(C=C(O2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C#N |
Product Overview
benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate (CAS 370841-82-0), with molecular formula C27H20FNO3S and molecular weight 457.11 g/mol. IUPAC: benzyl 2-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl]acetate.
Chemical Property Profile of benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate
Property Insights of benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate
The XLogP value of 6.19238 indicates that benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-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-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate?
The CAS number of benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate is 370841-82-0.
What is the molecular formula of benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate?
The molecular formula of benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate is C27H20FNO3S.
What is the molecular weight of benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate?
The molecular weight of benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate is 457.11 g/mol.
Where can I buy benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate?
You can request a quote for benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-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-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for benzyl {[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.