3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid
TL;DR: 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid (CAS 107947-16-0) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dioxopyrrolidin-1-yl)-4-methylbenzoic acid
Also Known As: 3-(2,5-dioxopyrrolidin-1-yl)-4-methylbenzoic acid, AB00102380-01, 3-(2,5-dioxopyrrolidin-1-yl)-4-methyl-benzoic Acid, 3-(2,5-Dioxo-pyrrolidin-1-yl)-4-methyl-benzoic acid, F0901-7563
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 107947-16-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CCC2=O |
| InChIKey | DXWXNJRVULDSKE-UHFFFAOYSA-N |
Product Overview
3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid (CAS 107947-16-0), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: 3-(2,5-dioxopyrrolidin-1-yl)-4-methylbenzoic acid.
Chemical Property Profile of 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid
Property Insights of 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid
The XLogP value of -0.2 indicates that 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic 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 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid?
The CAS number of 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid is 107947-16-0.
What is the molecular formula of 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid?
The molecular formula of 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid is C12H11NO4.
What is the molecular weight of 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid?
The molecular weight of 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid is 233.07 g/mol.
Where can I buy 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid?
You can request a quote for 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-Dioxopyrrolidin-1-yl)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.