1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one (CAS 893697-79-5) is a chemical compound with molecular formula C30H25N3O5S2 and molecular weight 571.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one, (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione, (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C30H25N3O5S2 |
|---|---|
| Molecular Weight | 571.12 g/mol |
| LogP | 5.7887 |
| Topological Polar Surface Area | 101.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 571.12354 |
| Heavy Atoms | 40 |
| Complexity | 1618.0656 |
Chemical Identifiers
| CAS Number | 893697-79-5 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5)C6=CC=C(C=C6)OC)/O |
Product Overview
1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one (CAS 893697-79-5), with molecular formula C30H25N3O5S2 and molecular weight 571.12 g/mol. IUPAC: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one
The XLogP value of 5.7887 indicates that 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is 893697-79-5.
What is the molecular formula of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is C30H25N3O5S2.
What is the molecular weight of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is 571.12 g/mol.
Where can I buy 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
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Does KEHONG BIO offer custom synthesis for 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.