![2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid structure](/static/products/4503/450392-75-3.webp)
2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid
TL;DR: 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid (CAS 450392-75-3) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]benzoic acid
Also Known As: 2-{[(2,3,6-trimethylphenoxy)acetyl]amino}benzoic acid, VU0509077-1, 2-(2-(2,3,6-trimethylphenoxy)acetamido)benzoic acid, 2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]benzoic Acid, 2-[2-(2,3,6-trimethylphenoxy)acetylamino]benzoic acid
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 450392-75-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)OCC(=O)NC2=CC=CC=C2C(=O)O)C |
| InChIKey | GWRZSSISKXXWQT-UHFFFAOYSA-N |
Product Overview
2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid (CAS 450392-75-3), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: 2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]benzoic acid.
Chemical Property Profile of 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid
Property Insights of 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid
The XLogP value of 4.0 indicates that 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid has 2 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 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid?
The CAS number of 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid is 450392-75-3.
What is the molecular formula of 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid?
The molecular formula of 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid is C18H19NO4.
What is the molecular weight of 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid?
The molecular weight of 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid is 313.13 g/mol.
Where can I buy 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid?
You can request a quote for 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2,3,6-Trimethylphenoxy)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.