![(4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione structure](/static/products/848/848748-85-6.png)
(4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione
TL;DR: (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione (CAS 848748-85-6) is a chemical compound with molecular formula C24H17FN4O4S2 and molecular weight 508.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
Also Known As: (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione, 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one, 1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one, 1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(pyridin-4-yl)-1,5-dihydro-2H-pyrrol-2-one, 1-{5-[(2-fluorophenyl)methylthio](1,3,4-thiadiazol-2-yl)}-3-hydroxy-4-[(5-meth yl(2-furyl))carbonyl]-5-(4-pyridyl)-3-pyrrolin-2-one
| Molecular Formula | C24H17FN4O4S2 |
|---|---|
| Molecular Weight | 508.07 g/mol |
| LogP | 5.04882 |
| Topological Polar Surface Area | 109.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.06754 |
| Heavy Atoms | 35 |
| Complexity | 1450.5023 |
Chemical Identifiers
| CAS Number | 848748-85-6 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=NC=C3)C4=NN=C(S4)SCC5=CC=CC=C5F)O |
Product Overview
(4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione (CAS 848748-85-6), with molecular formula C24H17FN4O4S2 and molecular weight 508.07 g/mol. IUPAC: 1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one.
Chemical Property Profile of (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione
Property Insights of (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione
The XLogP value of 5.04882 indicates that (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 9 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-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione?
The CAS number of (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione is 848748-85-6.
What is the molecular formula of (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione?
The molecular formula of (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione is C24H17FN4O4S2.
What is the molecular weight of (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione?
The molecular weight of (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione is 508.07 g/mol.
Where can I buy (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione?
You can request a quote for (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-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-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.