![5-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid structure](/static/products/4043/404377-38-4.webp)
5-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid
TL;DR: 5-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid (CAS 404377-38-4) 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-(4-butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: 5-(2-(4-(sec-butyl)phenoxy)acetamido)isophthalic acid, 5-({[4-(butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid, 5-[[2-(4-butan-2-ylphenoxy)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 | 811.8005 |
Chemical Identifiers
| CAS Number | 404377-38-4 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O |
Product Overview
5-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid (CAS 404377-38-4), with molecular formula C20H21NO6 and molecular weight 371.14 g/mol. IUPAC: 5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid
Property Insights of 5-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid
The XLogP value of 3.614 indicates that 5-({[4-(Butan-2-yl)phenoxy]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-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-({[4-(Butan-2-yl)phenoxy]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-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid?
The CAS number of 5-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid is 404377-38-4.
What is the molecular formula of 5-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid?
The molecular formula of 5-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid is C20H21NO6.
What is the molecular weight of 5-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid?
The molecular weight of 5-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid is 371.14 g/mol.
Where can I buy 5-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid?
You can request a quote for 5-({[4-(Butan-2-yl)phenoxy]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-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-({[4-(Butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.