2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
TL;DR: 2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 831206-98-5) is a chemical compound with molecular formula C19H16N2O6S and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
Also Known As: VU0507607-1, 2-((1-(4-(ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid, AB00689043-01, F3023-0301, 2-({1-[4-(ethoxycarbonyl)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid
| Molecular Formula | C19H16N2O6S |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 2.3807 |
| Topological Polar Surface Area | 113.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.0729 |
| Heavy Atoms | 28 |
| Complexity | 943.69495 |
Chemical Identifiers
| CAS Number | 831206-98-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O |
Product Overview
2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 831206-98-5), with molecular formula C19H16N2O6S and molecular weight 400.07 g/mol. IUPAC: 2-[1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
Property Insights of 2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
The XLogP value of 2.3807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid. The TPSA of 113.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid. Following Lipinski's Rule of Five, 2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic 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-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The CAS number of 2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 831206-98-5.
What is the molecular formula of 2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular formula of 2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is C19H16N2O6S.
What is the molecular weight of 2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular weight of 2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 400.07 g/mol.
Where can I buy 2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
You can request a quote for 2-((1-(4-(Ethoxycarbonyl)phenyl)-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-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(4-(Ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.