![5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid structure](/static/products/5973/5973-52-4.webp)
5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
TL;DR: 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid (CAS 5973-52-4) is a chemical compound with molecular formula C20H21NO6 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: BIM-0008839.P001, 5-{[(2-sec-butylphenoxy)acetyl]amino}isophthalic acid, 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid, A2056/0086493, 5-({[2-(butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid
| Molecular Formula | C20H21NO6 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 3.614 |
| Topological Polar Surface Area | 112.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.1369 |
| Heavy Atoms | 27 |
| Complexity | 829.0505 |
Chemical Identifiers
| CAS Number | 5973-52-4 |
|---|---|
| SMILES | CCC(C)C1=CC=CC=C1OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O |
Product Overview
5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid (CAS 5973-52-4), with molecular formula C20H21NO6 and molecular weight 371.14 g/mol. IUPAC: 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
Property Insights of 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
The XLogP value of 3.614 indicates that 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid has 3 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 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid?
The CAS number of 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid is 5973-52-4.
What is the molecular formula of 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid?
The molecular formula of 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid is C20H21NO6.
What is the molecular weight of 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid?
The molecular weight of 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid is 371.14 g/mol.
Where can I buy 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid?
You can request a quote for 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[[2-(2-Butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.