2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
TL;DR: 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid (CAS 132228-17-2) is a chemical compound with molecular formula C12H11NO4S and molecular weight 265.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylbenzoic acid
Also Known As: 2-((1-methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid, BAS 04881459, 2-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylbenzoic acid, 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl]benzoic acid, AB00460905-04
| Molecular Formula | C12H11NO4S |
|---|---|
| Molecular Weight | 265.04 g/mol |
| LogP | 1.2342 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.0409 |
| Heavy Atoms | 18 |
| Complexity | 528.5636 |
Chemical Identifiers
| CAS Number | 132228-17-2 |
|---|---|
| SMILES | CN1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)O |
Product Overview
2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid (CAS 132228-17-2), with molecular formula C12H11NO4S and molecular weight 265.04 g/mol. IUPAC: 2-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylbenzoic acid.
Chemical Property Profile of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
Property Insights of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid
The XLogP value of 1.2342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid. Following Lipinski's Rule of Five, 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)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-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The CAS number of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is 132228-17-2.
What is the molecular formula of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The molecular formula of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is C12H11NO4S.
What is the molecular weight of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
The molecular weight of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid is 265.04 g/mol.
Where can I buy 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
You can request a quote for 2-((1-Methyl-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-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.