![5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid structure](/static/products/4288/428848-65-1.webp)
5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid
TL;DR: 5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid (CAS 428848-65-1) is a chemical compound with molecular formula C16H12BrNO6 and molecular weight 392.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-(4-bromophenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: 5-(2-(4-bromophenoxy)acetamido)isophthalic acid, AB00110123-01, 5-[[2-(4-bromophenoxy)acetyl]amino]benzene-1,3-dicarboxylic Acid, 5-{[(4-bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid
| Molecular Formula | C16H12BrNO6 |
|---|---|
| Molecular Weight | 392.98 g/mol |
| LogP | 2.863 |
| Topological Polar Surface Area | 112.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.9848 |
| Heavy Atoms | 24 |
| Complexity | 755.40466 |
Chemical Identifiers
| CAS Number | 428848-65-1 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)Br |
Product Overview
5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid (CAS 428848-65-1), with molecular formula C16H12BrNO6 and molecular weight 392.98 g/mol. IUPAC: 5-[[2-(4-bromophenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid
Property Insights of 5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid
The XLogP value of 2.863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid. The TPSA of 112.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-{[(4-Bromophenoxy)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-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid?
The CAS number of 5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid is 428848-65-1.
What is the molecular formula of 5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid?
The molecular formula of 5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid is C16H12BrNO6.
What is the molecular weight of 5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid?
The molecular weight of 5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid is 392.98 g/mol.
Where can I buy 5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid?
You can request a quote for 5-{[(4-Bromophenoxy)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-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(4-Bromophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.