![2-{[1-(2-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid structure](/static/products/4333/433329-57-8.webp)
2-{[1-(2-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
TL;DR: 2-{[1-(2-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid (CAS 433329-57-8) is a chemical compound with molecular formula C18H14BrNO4S and molecular weight 418.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
Also Known As: acs.jmedchem.1c00409_ST.713, F1199-0003, AP-845/41136445, 2-{[1-(2-bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid, 2-((1-(2-bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
| Molecular Formula | C18H14BrNO4S |
|---|---|
| Molecular Weight | 418.98 g/mol |
| LogP | 3.87992 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.9827 |
| Heavy Atoms | 25 |
| Complexity | 883.1298 |
Chemical Identifiers
| CAS Number | 433329-57-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)Br |
Product Overview
2-{[1-(2-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid (CAS 433329-57-8), with molecular formula C18H14BrNO4S and molecular weight 418.98 g/mol. IUPAC: 2-[1-(2-bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid.
Chemical Property Profile of 2-{[1-(2-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Property Insights of 2-{[1-(2-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
The XLogP value of 3.87992 indicates that 2-{[1-(2-Bromo-4-methylphenyl)-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-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[1-(2-Bromo-4-methylphenyl)-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-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
The CAS number of 2-{[1-(2-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid is 433329-57-8.
What is the molecular formula of 2-{[1-(2-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
The molecular formula of 2-{[1-(2-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid is C18H14BrNO4S.
What is the molecular weight of 2-{[1-(2-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
The molecular weight of 2-{[1-(2-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid is 418.98 g/mol.
Where can I buy 2-{[1-(2-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
You can request a quote for 2-{[1-(2-Bromo-4-methylphenyl)-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-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[1-(2-Bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.