![5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one structure](/static/products/7050/7050-65-9.webp)
5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
TL;DR: 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one (CAS 7050-65-9) is a chemical compound with molecular formula C33H28FN3O6S2 and molecular weight 645.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butoxyphenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
Also Known As: 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one, 2-(4-butoxyphenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
| Molecular Formula | C33H28FN3O6S2 |
|---|---|
| Molecular Weight | 645.14 g/mol |
| LogP | 7.6861 |
| Topological Polar Surface Area | 114.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 645.1404 |
| Heavy Atoms | 45 |
| Complexity | 1902.0127 |
Chemical Identifiers
| CAS Number | 7050-65-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4F)O)C(=O)C5=CC6=C(O5)C(=CC=C6)OC |
Product Overview
5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one (CAS 7050-65-9), with molecular formula C33H28FN3O6S2 and molecular weight 645.14 g/mol. IUPAC: 2-(4-butoxyphenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
Property Insights of 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
The XLogP value of 7.6861 indicates that 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-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 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one. Following Lipinski's Rule of Five, 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-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 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one?
The CAS number of 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one is 7050-65-9.
What is the molecular formula of 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one?
The molecular formula of 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one is C33H28FN3O6S2.
What is the molecular weight of 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one?
The molecular weight of 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one is 645.14 g/mol.
Where can I buy 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one?
You can request a quote for 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-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 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Butoxyphenyl)-1-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.