3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one
TL;DR: 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one (CAS 893700-15-7) is a chemical compound with molecular formula C36H31N3O5S2 and molecular weight 649.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-propoxyphenyl)pyrrolidine-2,3-dione, (4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C36H31N3O5S2 |
|---|---|
| Molecular Weight | 649.17 g/mol |
| LogP | 7.7221 |
| Topological Polar Surface Area | 101.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 649.17053 |
| Heavy Atoms | 46 |
| Complexity | 1999.5936 |
Chemical Identifiers
| CAS Number | 893700-15-7 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\O)/C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC7=CC=CC=C76 |
Product Overview
3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one (CAS 893700-15-7), with molecular formula C36H31N3O5S2 and molecular weight 649.17 g/mol. IUPAC: (4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one
Property Insights of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 7.7221 indicates that 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-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 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-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 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one is 893700-15-7.
What is the molecular formula of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one is C36H31N3O5S2.
What is the molecular weight of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one is 649.17 g/mol.
Where can I buy 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-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-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.