![(4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione structure](/static/products/897/897835-98-2.png)
(4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
TL;DR: (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione (CAS 897835-98-2) is a chemical compound with molecular formula C19H15N3O4S3 and molecular weight 445.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-(3-methoxyphenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione, 3-hydroxy-5-(3-methoxyphenyl)-1-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 3-hydroxy-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 3-HYDROXY-5-(3-METHOXYPHENYL)-1-[5-(METHYLSULFANYL)-1,3,4-THIADIAZOL-2-YL]-4-(THIOPHENE-2-CARBONYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE, 4-hydroxy-2-(3-methoxyphenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
| Molecular Formula | C19H15N3O4S3 |
|---|---|
| Molecular Weight | 445.02 g/mol |
| LogP | 4.113 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.02246 |
| Heavy Atoms | 29 |
| Complexity | 1107.6195 |
Chemical Identifiers
| CAS Number | 897835-98-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SC)O)C(=O)C4=CC=CS4 |
Product Overview
(4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione (CAS 897835-98-2), with molecular formula C19H15N3O4S3 and molecular weight 445.02 g/mol. IUPAC: 4-hydroxy-2-(3-methoxyphenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
Property Insights of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
The XLogP value of 4.113 indicates that (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 9 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]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione?
The CAS number of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione is 897835-98-2.
What is the molecular formula of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione?
The molecular formula of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione is C19H15N3O4S3.
What is the molecular weight of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione?
The molecular weight of (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione is 445.02 g/mol.
Where can I buy (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione?
You can request a quote for (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-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)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.