![4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid structure](/static/products/4468/446828-86-0.webp)
4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid
TL;DR: 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid (CAS 446828-86-0) is a chemical compound with molecular formula C17H16ClNO4 and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]benzoic acid
Also Known As: 4-[2-(4-chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid, AB00327481-02, F3099-7127, 4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]benzoic acid, 4-[2-(4-CHLORO-3,5-DIMETHYLPHENOXY)ACETAMIDO]BENZOIC ACID
| Molecular Formula | C17H16ClNO4 |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.07678 |
| Heavy Atoms | 23 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 446828-86-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CC=C(C=C2)C(=O)O |
| InChIKey | NCZRQRXVQPTFBA-UHFFFAOYSA-N |
Product Overview
4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid (CAS 446828-86-0), with molecular formula C17H16ClNO4 and molecular weight 333.08 g/mol. IUPAC: 4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]benzoic acid.
Chemical Property Profile of 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid
Property Insights of 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid
The XLogP value of 3.7 indicates that 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]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 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]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 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid?
The CAS number of 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid is 446828-86-0.
What is the molecular formula of 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid?
The molecular formula of 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid is C17H16ClNO4.
What is the molecular weight of 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid?
The molecular weight of 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid is 333.08 g/mol.
Where can I buy 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid?
You can request a quote for 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4-Chloro-3,5-dimethylphenoxy)acetylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.