![5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid structure](/static/products/6674/667409-79-2.webp)
5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid
TL;DR: 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid (CAS 667409-79-2) is a chemical compound with molecular formula C17H16BrNO4 and molecular weight 377.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoic acid
Also Known As: CBKinase1_004104, CBKinase1_016504, AB00329154-02, BRD-K72740823-001-01-2, 5-bromo-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoic Acid
| Molecular Formula | C17H16BrNO4 |
|---|---|
| Molecular Weight | 377.03 g/mol |
| LogP | 3.78164 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.02628 |
| Heavy Atoms | 23 |
| Complexity | 758.2537 |
Chemical Identifiers
| CAS Number | 667409-79-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O)C |
Product Overview
5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid (CAS 667409-79-2), with molecular formula C17H16BrNO4 and molecular weight 377.03 g/mol. IUPAC: 5-bromo-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoic acid.
Chemical Property Profile of 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid
Property Insights of 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid
The XLogP value of 3.78164 indicates that 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 3 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-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid?
The CAS number of 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid is 667409-79-2.
What is the molecular formula of 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid?
The molecular formula of 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid is C17H16BrNO4.
What is the molecular weight of 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid?
The molecular weight of 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid is 377.03 g/mol.
Where can I buy 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid?
You can request a quote for 5-Bromo-2-{[(3,4-dimethylphenoxy)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 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.