![1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one structure](/static/products/7050/7050-45-5.webp)
1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
TL;DR: 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one (CAS 7050-45-5) is a chemical compound with molecular formula C35H25N3O6S2 and molecular weight 647.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
Also Known As: 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one, 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
| Molecular Formula | C35H25N3O6S2 |
|---|---|
| Molecular Weight | 647.12 g/mol |
| LogP | 8.1604 |
| Topological Polar Surface Area | 114.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 647.11847 |
| Heavy Atoms | 46 |
| Complexity | 2091.6528 |
Chemical Identifiers
| CAS Number | 7050-45-5 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC(=CC=C4)OC5=CC=CC=C5)C6=NN=C(S6)SCC7=CC=CC=C7)O |
Product Overview
1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one (CAS 7050-45-5), with molecular formula C35H25N3O6S2 and molecular weight 647.12 g/mol. IUPAC: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Property Insights of 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
The XLogP value of 8.1604 indicates that 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one. Following Lipinski's Rule of Five, 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one has 1 hydrogen bond donor(s) and 10 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-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one?
The CAS number of 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one is 7050-45-5.
What is the molecular formula of 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one?
The molecular formula of 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one is C35H25N3O6S2.
What is the molecular weight of 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one?
The molecular weight of 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one is 647.12 g/mol.
Where can I buy 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one?
You can request a quote for 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-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 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.