![(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione structure](/static/products/844/844459-38-7.png)
(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
TL;DR: (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione (CAS 844459-38-7) is a chemical compound with molecular formula C24H17N3O5S2 and molecular weight 491.06 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)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
Also Known As: (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione, 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-4-(furan-2-carbonyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one, 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one, 1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(furan-2-ylcarbonyl)-3-hydroxy-5-(4-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C24H17N3O5S2 |
|---|---|
| Molecular Weight | 491.06 g/mol |
| LogP | 4.9119 |
| Topological Polar Surface Area | 116.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.06097 |
| Heavy Atoms | 34 |
| Complexity | 1365.3862 |
Chemical Identifiers
| CAS Number | 844459-38-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CO4)C5=CC=C(C=C5)O |
Product Overview
(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione (CAS 844459-38-7), with molecular formula C24H17N3O5S2 and molecular weight 491.06 g/mol. IUPAC: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Property Insights of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
The XLogP value of 4.9119 indicates that (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione has 2 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)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione?
The CAS number of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione is 844459-38-7.
What is the molecular formula of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione?
The molecular formula of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione is C24H17N3O5S2.
What is the molecular weight of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione?
The molecular weight of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione is 491.06 g/mol.
Where can I buy (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione?
You can request a quote for (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)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-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[furan-2-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.