![(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione structure](/static/products/848/848686-13-5.png)
(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
TL;DR: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione (CAS 848686-13-5) is a chemical compound with molecular formula C25H17FN4O3S2 and molecular weight 504.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione, (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(pyridin-3-yl)pyrrolidine-2,3-dione, 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(pyridin-3-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H17FN4O3S2 |
|---|---|
| Molecular Weight | 504.07 g/mol |
| LogP | 4.9908 |
| Topological Polar Surface Area | 96.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.0726 |
| Heavy Atoms | 35 |
| Complexity | 1409.6796 |
Chemical Identifiers
| CAS Number | 848686-13-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)N3C(/C(=C(/C4=CC=C(C=C4)F)\O)/C(=O)C3=O)C5=CN=CC=C5 |
Product Overview
(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione (CAS 848686-13-5), with molecular formula C25H17FN4O3S2 and molecular weight 504.07 g/mol. IUPAC: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
Property Insights of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
The XLogP value of 4.9908 indicates that (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione?
The CAS number of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione is 848686-13-5.
What is the molecular formula of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione?
The molecular formula of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione is C25H17FN4O3S2.
What is the molecular weight of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione?
The molecular weight of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione is 504.07 g/mol.
Where can I buy (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione?
You can request a quote for (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.