![5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one structure](/static/products/620/620579-50-2.png)
5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one
TL;DR: 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 620579-50-2) is a chemical compound with molecular formula C31H24FN3O6S2 and molecular weight 617.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
| Molecular Formula | C31H24FN3O6S2 |
|---|---|
| Molecular Weight | 617.11 g/mol |
| LogP | 5.9318 |
| Topological Polar Surface Area | 111.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 617.1091 |
| Heavy Atoms | 43 |
| Complexity | 1739.5527 |
Chemical Identifiers
| CAS Number | 620579-50-2 |
|---|---|
| SMILES | C=CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)F |
Product Overview
5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 620579-50-2), with molecular formula C31H24FN3O6S2 and molecular weight 617.11 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one
Property Insights of 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one
The XLogP value of 5.9318 indicates that 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-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-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The CAS number of 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one is 620579-50-2.
What is the molecular formula of 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular formula of 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one is C31H24FN3O6S2.
What is the molecular weight of 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular weight of 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one is 617.11 g/mol.
Where can I buy 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one?
You can request a quote for 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-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 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.