![3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one structure](/static/products/897/897836-03-2.png)
3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one
TL;DR: 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one (CAS 897836-03-2) is a chemical compound with molecular formula C20H17N3O4S2 and molecular weight 427.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-methylphenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
Also Known As: 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione, 3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one, 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-methylphenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
| Molecular Formula | C20H17N3O4S2 |
|---|---|
| Molecular Weight | 427.07 g/mol |
| LogP | 4.25274 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.06604 |
| Heavy Atoms | 29 |
| Complexity | 1130.8152 |
Chemical Identifiers
| CAS Number | 897836-03-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SC)O)C(=O)C4=CC=C(O4)C |
Product Overview
3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one (CAS 897836-03-2), with molecular formula C20H17N3O4S2 and molecular weight 427.07 g/mol. IUPAC: 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-methylphenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.
Chemical Property Profile of 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one
Property Insights of 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one
The XLogP value of 4.25274 indicates that 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one. Following Lipinski's Rule of Five, 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one 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 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one?
The CAS number of 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one is 897836-03-2.
What is the molecular formula of 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one?
The molecular formula of 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one is C20H17N3O4S2.
What is the molecular weight of 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one?
The molecular weight of 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one is 427.07 g/mol.
Where can I buy 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one?
You can request a quote for 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.