2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
TL;DR: 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid (CAS 514182-09-3) is a chemical compound with molecular formula C17H12INO4S and molecular weight 452.9532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
Also Known As: 2-((1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid, AP-906/41651029, VU0509410-1, VU0509410-2, AB00682910-01
Technical Specifications
| Molecular Formula | C17H12INO4S |
| Molecular Weight | 452.9532 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.9532 Da |
| Heavy Atoms | 24 |
| Complexity | 521.0 |
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)I)SC3=CC=CC=C3C(=O)O |
| InChIKey | AXCSSGFAMMVEMR-UHFFFAOYSA-N |
Chemical Property Profile of 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
Property Insights of 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
The XLogP value of 3.2 indicates that 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid. Following Lipinski's Rule of Five, 2-((1-(4-Iodophenyl)-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
What is the CAS number of 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The CAS number of 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is 514182-09-3.
What is the molecular formula of 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The molecular formula of 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is C17H12INO4S.
What is the molecular weight of 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The molecular weight of 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is 452.9532 g/mol.
Where can I buy 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
You can request a quote for 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((1-(4-Iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.