![(4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione structure](/static/products/897/897835-99-3.png)
(4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione
TL;DR: (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione (CAS 897835-99-3) is a chemical compound with molecular formula C18H13N3O3S3 and molecular weight 415.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione, 3-hydroxy-1-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-5-phenyl-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 3-hydroxy-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenyl-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 3-HYDROXY-1-[5-(METHYLSULFANYL)-1,3,4-THIADIAZOL-2-YL]-5-PHENYL-4-(THIOPHENE-2-CARBONYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE, 4-hydroxy-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
| Molecular Formula | C18H13N3O3S3 |
|---|---|
| Molecular Weight | 415.01 g/mol |
| LogP | 4.1044 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.0119 |
| Heavy Atoms | 27 |
| Complexity | 1028.5714 |
Chemical Identifiers
| CAS Number | 897835-99-3 |
|---|---|
| SMILES | CSC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=CC=C4 |
Product Overview
(4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione (CAS 897835-99-3), with molecular formula C18H13N3O3S3 and molecular weight 415.01 g/mol. IUPAC: 4-hydroxy-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione
Property Insights of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione
The XLogP value of 4.1044 indicates that (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-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 (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione?
The CAS number of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione is 897835-99-3.
What is the molecular formula of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione?
The molecular formula of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione is C18H13N3O3S3.
What is the molecular weight of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione?
The molecular weight of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione is 415.01 g/mol.
Where can I buy (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione?
You can request a quote for (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-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)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.