4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid
TL;DR: 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid (CAS 157928-79-5) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid
Also Known As: 4-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid, 4-(3-Methyl-2,5-dioxo-pyrrolidin-1-yl)-benzoic acid, BAS 01416661, 4-(3-methyl-2,5-dioxoazolidinyl)benzoic acid, 4-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoic acid
Technical Specifications
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.0688 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.0688 Da |
| Heavy Atoms | 17 |
| Complexity | 358.0 |
| SMILES | CC1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O |
| InChIKey | NGTUAZVXHJBAKJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid
Property Insights of 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)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
What is the CAS number of 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid?
The CAS number of 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid is 157928-79-5.
What is the molecular formula of 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid?
The molecular formula of 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid is C12H11NO4.
What is the molecular weight of 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid?
The molecular weight of 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid is 233.0688 g/mol.
Where can I buy 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid?
You can request a quote for 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.