![Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate structure](/static/products/208/208254-33-5.png)
Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate
TL;DR: Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate (CAS 208254-33-5) is a chemical compound with molecular formula C22H15FN4O2S and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[6-amino-3,5-dicyano-4-(3-fluorophenyl)-2-pyridinyl]sulfanyl]acetate
Also Known As: Benzyl 2-[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanylacetate, benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate, benzyl 2-((6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl)thio)acetate
| Molecular Formula | C22H15FN4O2S |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 4.04876 |
| Topological Polar Surface Area | 112.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.08997 |
| Heavy Atoms | 30 |
| Complexity | 1170.2356 |
Chemical Identifiers
| CAS Number | 208254-33-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)F)C#N |
Product Overview
Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate (CAS 208254-33-5), with molecular formula C22H15FN4O2S and molecular weight 418.09 g/mol. IUPAC: benzyl 2-[[6-amino-3,5-dicyano-4-(3-fluorophenyl)-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate
Property Insights of Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate
The XLogP value of 4.04876 indicates that Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate?
The CAS number of Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate is 208254-33-5.
What is the molecular formula of Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate?
The molecular formula of Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate is C22H15FN4O2S.
What is the molecular weight of Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate?
The molecular weight of Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate is 418.09 g/mol.
Where can I buy Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate?
You can request a quote for Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-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 {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.