ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate
TL;DR: ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate (CAS 710987-50-1) is a chemical compound with molecular formula C21H17N3O6S and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate, F1649-0519, ethyl 4-{3-[5-(2-hydroxyphenyl)(1,3,4-oxadiazol-2-ylthio)]-2,5-dioxoazolidinyl }benzoate, ETHYL 4-(3-{[5-(2-HYDROXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}-2,5-DIOXOPYRROLIDIN-1-YL)BENZOATE, ethyl 4-[2,5-dioxo-3-[[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanyl]pyrrolidin-1-yl]benzoate
| Molecular Formula | C21H17N3O6S |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 3.0431 |
| Topological Polar Surface Area | 122.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.0838 |
| Heavy Atoms | 31 |
| Complexity | 1144.0266 |
Chemical Identifiers
| CAS Number | 710987-50-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NN=C(O3)C4=CC=CC=C4O |
Product Overview
ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate (CAS 710987-50-1), with molecular formula C21H17N3O6S and molecular weight 439.08 g/mol. IUPAC: ethyl 4-[3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate
Property Insights of ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate
The XLogP value of 3.0431 indicates that ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.83 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate?
The CAS number of ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate is 710987-50-1.
What is the molecular formula of ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate?
The molecular formula of ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate is C21H17N3O6S.
What is the molecular weight of ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate?
The molecular weight of ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate is 439.08 g/mol.
Where can I buy ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate?
You can request a quote for ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3-((5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.