![1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one structure](/static/products/7050/7050-77-3.webp)
1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
TL;DR: 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one (CAS 7050-77-3) is a chemical compound with molecular formula C32H23Cl2N3O6S2 and molecular weight 679.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
Also Known As: 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one, 1-(5-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(7-methoxy-1-benzofuran-2-carbonyl)-5-{3-[(prop-2-en-1-yl)oxy]phenyl}-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C32H23Cl2N3O6S2 |
|---|---|
| Molecular Weight | 679.04 g/mol |
| LogP | 8.2397 |
| Topological Polar Surface Area | 114.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 679.0405 |
| Heavy Atoms | 45 |
| Complexity | 1988.5173 |
Chemical Identifiers
| CAS Number | 7050-77-3 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC(=CC=C4)OCC=C)C5=NN=C(S5)SCC6=C(C=C(C=C6)Cl)Cl)O |
Product Overview
1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one (CAS 7050-77-3), with molecular formula C32H23Cl2N3O6S2 and molecular weight 679.04 g/mol. IUPAC: 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
Property Insights of 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
The XLogP value of 8.2397 indicates that 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-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-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one. Following Lipinski's Rule of Five, 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-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-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
The CAS number of 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one is 7050-77-3.
What is the molecular formula of 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
The molecular formula of 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one is C32H23Cl2N3O6S2.
What is the molecular weight of 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
The molecular weight of 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one is 679.04 g/mol.
Where can I buy 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
You can request a quote for 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-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-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.