![(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione structure](/static/products/620/620574-01-8.png)
(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
TL;DR: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione (CAS 620574-01-8) is a chemical compound with molecular formula C32H29N3O7S2 and molecular weight 631.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Also Known As: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione, (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione, 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C32H29N3O7S2 |
|---|---|
| Molecular Weight | 631.14 g/mol |
| LogP | 6.0253 |
| Topological Polar Surface Area | 120.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 631.1447 |
| Heavy Atoms | 44 |
| Complexity | 1724.0168 |
Chemical Identifiers
| CAS Number | 620574-01-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6)OCC |
Product Overview
(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione (CAS 620574-01-8), with molecular formula C32H29N3O7S2 and molecular weight 631.14 g/mol. IUPAC: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Property Insights of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
The XLogP value of 6.0253 indicates that (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?
The CAS number of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione is 620574-01-8.
What is the molecular formula of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?
The molecular formula of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione is C32H29N3O7S2.
What is the molecular weight of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?
The molecular weight of (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione is 631.14 g/mol.
Where can I buy (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?
You can request a quote for (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.