![5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid structure](/static/products/4969/496913-87-2.webp)
5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid
TL;DR: 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid (CAS 496913-87-2) is a chemical compound with molecular formula C19H19NO6 and molecular weight 357.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: AN-979/40712381, 5-(2-(2,4,5-trimethylphenoxy)acetamido)isophthalic acid, 5-{[(2,4,5-trimethylphenoxy)acetyl]amino}isophthalic acid, 5-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid, 5-{[(2,4,5-trimethylphenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid
| Molecular Formula | C19H19NO6 |
|---|---|
| Molecular Weight | 357.12 g/mol |
| LogP | 3.02576 |
| Topological Polar Surface Area | 112.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.12125 |
| Heavy Atoms | 26 |
| Complexity | 855.5884 |
Chemical Identifiers
| CAS Number | 496913-87-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)C |
Product Overview
5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid (CAS 496913-87-2), with molecular formula C19H19NO6 and molecular weight 357.12 g/mol. IUPAC: 5-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid
Property Insights of 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid
The XLogP value of 3.02576 indicates that 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic 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-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid. Following Lipinski's Rule of Five, 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic 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-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid?
The CAS number of 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid is 496913-87-2.
What is the molecular formula of 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid?
The molecular formula of 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid is C19H19NO6.
What is the molecular weight of 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid?
The molecular weight of 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid is 357.12 g/mol.
Where can I buy 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid?
You can request a quote for 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(2,4,5-Trimethylphenoxy)acetyl]amino}isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.