![2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid structure](/static/products/831/831205-98-2.png)
2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
TL;DR: 2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid (CAS 831205-98-2) is a chemical compound with molecular formula C17H11Cl2NO4S and molecular weight 394.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
Also Known As: VU0507549-1, 2-{[1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid, 2-((1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid, F3019-0021, 2-[1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
| Molecular Formula | C17H11Cl2NO4S |
|---|---|
| Molecular Weight | 394.98 g/mol |
| LogP | 4.1158 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.97858 |
| Heavy Atoms | 25 |
| Complexity | 886.7016 |
Chemical Identifiers
| CAS Number | 831205-98-2 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=C(C=CC(=C2)Cl)Cl)SC3=CC=CC=C3C(=O)O |
Product Overview
2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid (CAS 831205-98-2), with molecular formula C17H11Cl2NO4S and molecular weight 394.98 g/mol. IUPAC: 2-[1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid.
Chemical Property Profile of 2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Property Insights of 2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
The XLogP value of 4.1158 indicates that 2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid has 1 hydrogen bond donor(s) and 4 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-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
The CAS number of 2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid is 831205-98-2.
What is the molecular formula of 2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
The molecular formula of 2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid is C17H11Cl2NO4S.
What is the molecular weight of 2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
The molecular weight of 2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid is 394.98 g/mol.
Where can I buy 2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
You can request a quote for 2-{[1-(2,5-Dichlorophenyl)-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-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[1-(2,5-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.