2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
TL;DR: 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 500201-80-9) is a chemical compound with molecular formula C18H15N3O7S and molecular weight 417.06 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]sulfanylpyridine-3-carboxylic acid
Also Known As: VU0507609-1, AS-871/42842390, 2-((1-(4-ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid, 2-{[1-(4-ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid, F3023-0304
| Molecular Formula | C18H15N3O7S |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 2.5109 |
| Topological Polar Surface Area | 139.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.06308 |
| Heavy Atoms | 29 |
| Complexity | 1010.6993 |
Chemical Identifiers
| CAS Number | 500201-80-9 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O)[N+](=O)[O-] |
Product Overview
2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 500201-80-9), with molecular formula C18H15N3O7S and molecular weight 417.06 g/mol. IUPAC: 2-[1-(4-ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
Property Insights of 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
The XLogP value of 2.5109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid. The TPSA of 139.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid. Following Lipinski's Rule of Five, 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid has 1 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 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The CAS number of 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 500201-80-9.
What is the molecular formula of 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular formula of 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is C18H15N3O7S.
What is the molecular weight of 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular weight of 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 417.06 g/mol.
Where can I buy 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
You can request a quote for 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic 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)thio)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(4-Ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.