![[3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid structure](/static/products/2015/20154-03-4.webp)
[3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid
TL;DR: [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid (CAS 20154-03-4) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-methylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
Also Known As: 3-(Trifluoromethyl)pyrazole, [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid, BAS 01832096, [3-(4-methylbenzyl)-2,5-dioxopyrrolidin-1-yl]acetic acid, 2-[3-[(4-methylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 0.99722 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 520.75244 |
Chemical Identifiers
| CAS Number | 20154-03-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)CC(=O)O |
Product Overview
[3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid (CAS 20154-03-4), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: 2-[3-[(4-methylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid.
Chemical Property Profile of [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid
Property Insights of [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid
The XLogP value of 0.99722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid. Following Lipinski's Rule of Five, [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid has 1 hydrogen bond donor(s) and 3 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-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid?
The CAS number of [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid is 20154-03-4.
What is the molecular formula of [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid?
The molecular formula of [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid is C14H15NO4.
What is the molecular weight of [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid?
The molecular weight of [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid is 261.10 g/mol.
Where can I buy [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid?
You can request a quote for [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-Methyl-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.