![2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid structure](/static/products/6922/692276-58-7.webp)
2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
TL;DR: 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid (CAS 692276-58-7) is a chemical compound with molecular formula C19H16N2O7S and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
Also Known As: 2-{[1-(4-ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid, 2-((1-(4-ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid, 2-[1-(4-ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid, 2-[1-(4-ethoxy-2-nitrophenyl)-2,5-dioxoazolidin-3-ylthio]benzoic acid, 2-{[1-(4-ethoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio}benzoic acid
| Molecular Formula | C19H16N2O7S |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 3.1159 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.0678 |
| Heavy Atoms | 29 |
| Complexity | 1007.8022 |
Chemical Identifiers
| CAS Number | 692276-58-7 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)[N+](=O)[O-] |
Product Overview
2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid (CAS 692276-58-7), with molecular formula C19H16N2O7S and molecular weight 416.07 g/mol. IUPAC: 2-[1-(4-ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid.
Chemical Property Profile of 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Property Insights of 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
The XLogP value of 3.1159 indicates that 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid 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 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
The CAS number of 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid is 692276-58-7.
What is the molecular formula of 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
The molecular formula of 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid is C19H16N2O7S.
What is the molecular weight of 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
The molecular weight of 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid is 416.07 g/mol.
Where can I buy 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
You can request a quote for 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.