2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
TL;DR: 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid (CAS 496779-16-9) is a chemical compound with molecular formula C19H15NO5S and molecular weight 369.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-acetylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
Also Known As: 2-((1-(4-acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid, 2-{[1-(4-acetylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid, F1412-0047, 2-[1-(4-acetylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid, 2-[1-(4-acetylphenyl)-2,5-dioxoazolidin-3-ylthio]benzoic acid
| Molecular Formula | C19H15NO5S |
|---|---|
| Molecular Weight | 369.07 g/mol |
| LogP | 3.0116 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.0671 |
| Heavy Atoms | 26 |
| Complexity | 906.40045 |
Chemical Identifiers
| CAS Number | 496779-16-9 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O |
Product Overview
2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid (CAS 496779-16-9), with molecular formula C19H15NO5S and molecular weight 369.07 g/mol. IUPAC: 2-[1-(4-acetylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid.
Chemical Property Profile of 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
Property Insights of 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
The XLogP value of 3.0116 indicates that 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid. Following Lipinski's Rule of Five, 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid has 1 hydrogen bond donor(s) and 5 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-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The CAS number of 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is 496779-16-9.
What is the molecular formula of 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The molecular formula of 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is C19H15NO5S.
What is the molecular weight of 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The molecular weight of 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is 369.07 g/mol.
Where can I buy 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
You can request a quote for 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)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-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(4-Acetylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.