![ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate structure](/static/products/5226/522652-28-4.webp)
ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate
TL;DR: ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate (CAS 522652-28-4) is a chemical compound with molecular formula C20H17N5O4S and molecular weight 423.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2,5-dioxo-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidin-1-yl]benzoate
Also Known As: ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate, AJ-292/41686104, ethyl 4-[2,5-dioxo-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidin-1-yl]benzoate, ethyl 4-(2,5-dioxo-3-((1-phenyl-1H-tetrazol-5-yl)thio)pyrrolidin-1-yl)benzoate, ethyl 4-[2,5-dioxo-3-(1-phenyl(1,2,3,4-tetraazol-5-ylthio))azolidinyl]benzoate
| Molecular Formula | C20H17N5O4S |
|---|---|
| Molecular Weight | 423.10 g/mol |
| LogP | 2.2632 |
| Topological Polar Surface Area | 107.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.10013 |
| Heavy Atoms | 30 |
| Complexity | 1084.091 |
Chemical Identifiers
| CAS Number | 522652-28-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NN=NN3C4=CC=CC=C4 |
Product Overview
ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate (CAS 522652-28-4), with molecular formula C20H17N5O4S and molecular weight 423.10 g/mol. IUPAC: ethyl 4-[2,5-dioxo-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidin-1-yl]benzoate.
Chemical Property Profile of ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate
Property Insights of ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate
The XLogP value of 2.2632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate. The TPSA of 107.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate. Following Lipinski's Rule of Five, ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate has 0 hydrogen bond donor(s) and 8 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-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate?
The CAS number of ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate is 522652-28-4.
What is the molecular formula of ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate?
The molecular formula of ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate is C20H17N5O4S.
What is the molecular weight of ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate?
The molecular weight of ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate is 423.10 g/mol.
Where can I buy ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate?
You can request a quote for ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]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-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{2,5-dioxo-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidin-1-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.