1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one (CAS 1017496-87-5) is a chemical compound with molecular formula C29H21Cl2N3O4S2 and molecular weight 609.03503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-5-(3-chlorophenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Also Known As: 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one, (4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-chlorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione, (4E)-5-(3-chlorophenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Technical Specifications
| Molecular Formula | C29H21Cl2N3O4S2 |
| Molecular Weight | 609.03503 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 609.03503 Da |
| Heavy Atoms | 40 |
| Complexity | 1000.0 |
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5Cl)C6=CC(=CC=C6)Cl)/O |
| InChIKey | KCGQOJOZVAIBLA-WJTDDFOZSA-N |
Chemical Property Profile of 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one
The XLogP value of 7.3 indicates that 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-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 146.0 Ų indicates high polarity, suggesting 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is 1017496-87-5.
What is the molecular formula of 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is C29H21Cl2N3O4S2.
What is the molecular weight of 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is 609.03503 g/mol.
Where can I buy 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
Yes, CoreyChem provides custom synthesis services for 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-3-hydroxy-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.