2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
TL;DR: 2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid (CAS 428450-58-2) is a chemical compound with molecular formula C18H13NO6S and molecular weight 371.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-carboxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
Also Known As: 2-((1-(3-carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid, AB00685410-01, AS-871/15087051, 3-{3-[(2-CARBOXYPHENYL)SULFANYL]-2,5-DIOXOPYRROLIDIN-1-YL}BENZOIC ACID, F0915-0501
| Molecular Formula | C18H13NO6S |
|---|---|
| Molecular Weight | 371.05 g/mol |
| LogP | 2.5072 |
| Topological Polar Surface Area | 111.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.04636 |
| Heavy Atoms | 26 |
| Complexity | 925.4023 |
Chemical Identifiers
| CAS Number | 428450-58-2 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)SC3=CC=CC=C3C(=O)O |
Product Overview
2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid (CAS 428450-58-2), with molecular formula C18H13NO6S and molecular weight 371.05 g/mol. IUPAC: 2-[1-(3-carboxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid.
Chemical Property Profile of 2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
Property Insights of 2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
The XLogP value of 2.5072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid. The TPSA of 111.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid. Following Lipinski's Rule of Five, 2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid has 2 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-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The CAS number of 2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is 428450-58-2.
What is the molecular formula of 2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The molecular formula of 2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is C18H13NO6S.
What is the molecular weight of 2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The molecular weight of 2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is 371.05 g/mol.
Where can I buy 2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
You can request a quote for 2-((1-(3-Carboxyphenyl)-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-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(3-Carboxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.