![(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione structure](/static/products/845/845803-10-3.png)
(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
TL;DR: (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione (CAS 845803-10-3) is a chemical compound with molecular formula C22H15N3O5S2 and molecular weight 465.05 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)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
Also Known As: (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione, 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-4-(furan-2-carbonyl)-5-(furan-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one, 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one, 1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-(furan-2-ylcarbonyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H15N3O5S2 |
|---|---|
| Molecular Weight | 465.05 g/mol |
| LogP | 4.7993 |
| Topological Polar Surface Area | 109.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.04532 |
| Heavy Atoms | 32 |
| Complexity | 1280.3522 |
Chemical Identifiers
| CAS Number | 845803-10-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CO4)C5=CC=CO5 |
Product Overview
(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione (CAS 845803-10-3), with molecular formula C22H15N3O5S2 and molecular weight 465.05 g/mol. IUPAC: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.
Chemical Property Profile of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Property Insights of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
The XLogP value of 4.7993 indicates that (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]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)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?
The CAS number of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione is 845803-10-3.
What is the molecular formula of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?
The molecular formula of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione is C22H15N3O5S2.
What is the molecular weight of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?
The molecular weight of (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione is 465.05 g/mol.
Where can I buy (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?
You can request a quote for (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]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]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.