![1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione structure](/static/products/847/847269-53-8.png)
1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
TL;DR: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione (CAS 847269-53-8) is a chemical compound with molecular formula C25H18N4O3S2 and molecular weight 486.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione, 4-benzoyl-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C25H18N4O3S2 |
|---|---|
| Molecular Weight | 486.08 g/mol |
| LogP | 4.8517 |
| Topological Polar Surface Area | 96.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.08203 |
| Heavy Atoms | 34 |
| Complexity | 1358.7081 |
Chemical Identifiers
| CAS Number | 847269-53-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CN=CC=C5 |
Product Overview
1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione (CAS 847269-53-8), with molecular formula C25H18N4O3S2 and molecular weight 486.08 g/mol. IUPAC: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
Property Insights of 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
The XLogP value of 4.8517 indicates that 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-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 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione. Following Lipinski's Rule of Five, 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 8 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 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione?
The CAS number of 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione is 847269-53-8.
What is the molecular formula of 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione?
The molecular formula of 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione is C25H18N4O3S2.
What is the molecular weight of 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione?
The molecular weight of 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione is 486.08 g/mol.
Where can I buy 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione?
You can request a quote for 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-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 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.