methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 1203256-83-0) is a chemical compound with molecular formula C35H27N3O6S2 and molecular weight 649.13416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(3E)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-[(3E)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,5-dioxopyrrolidin-2-yl]benzoate
Technical Specifications
| Molecular Formula | C35H27N3O6S2 |
| Molecular Weight | 649.13416 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 649.13416 Da |
| Heavy Atoms | 46 |
| Complexity | 1190.0 |
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC6=CC=CC=C65)C7=CC=C(C=C7)C(=O)OC)/O |
| InChIKey | MWQIIKDOJYSFOA-SJCQXOIGSA-N |
Chemical Property Profile of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 7.2 indicates that methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 1203256-83-0.
What is the molecular formula of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C35H27N3O6S2.
What is the molecular weight of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 649.13416 g/mol.
Where can I buy methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.