![ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate structure](/static/products/3541/354156-07-3.webp)
ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate
TL;DR: ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate (CAS 354156-07-3) is a chemical compound with molecular formula C15H14N4O4S and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2,5-dioxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-1-yl]benzoate
Also Known As: AB00098428-01, ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate, ethyl 4-(3-((4H-1,2,4-triazol-3-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate, ethyl 4-[2,5-dioxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-1-yl]benzoate, ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)-1-pyrrolidinyl]benzoate
| Molecular Formula | C15H14N4O4S |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 1.4056 |
| Topological Polar Surface Area | 105.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.07358 |
| Heavy Atoms | 24 |
| Complexity | 760.2911 |
Chemical Identifiers
| CAS Number | 354156-07-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=NN3 |
Product Overview
ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate (CAS 354156-07-3), with molecular formula C15H14N4O4S and molecular weight 346.07 g/mol. IUPAC: ethyl 4-[2,5-dioxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidin-1-yl]benzoate.
Chemical Property Profile of ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate
Property Insights of ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate
The XLogP value of 1.4056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate. The TPSA of 105.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate has 1 hydrogen bond donor(s) and 7 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-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate?
The CAS number of ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate is 354156-07-3.
What is the molecular formula of ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate?
The molecular formula of ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate is C15H14N4O4S.
What is the molecular weight of ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate?
The molecular weight of ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate is 346.07 g/mol.
Where can I buy ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate?
You can request a quote for ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-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-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[2,5-dioxo-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidin-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.