![Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate structure](/static/products/6580/658046-25-4.webp)
Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate
TL;DR: Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate (CAS 658046-25-4) is a chemical compound with molecular formula C16H13BrClNO4 and molecular weight 396.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
Also Known As: methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate, AN-329/41835965, methyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate, methyl 4-[2-(2-bromo-4-chlorophenoxy)acetylamino]benzoate
| Molecular Formula | C16H13BrClNO4 |
|---|---|
| Molecular Weight | 396.97 g/mol |
| LogP | 3.9066 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.97165 |
| Heavy Atoms | 23 |
| Complexity | 718.5202 |
Chemical Identifiers
| CAS Number | 658046-25-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Br |
Product Overview
Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate (CAS 658046-25-4), with molecular formula C16H13BrClNO4 and molecular weight 396.97 g/mol. IUPAC: methyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate
Property Insights of Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate
The XLogP value of 3.9066 indicates that Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate has 1 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 Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate?
The CAS number of Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate is 658046-25-4.
What is the molecular formula of Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate?
The molecular formula of Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate is C16H13BrClNO4.
What is the molecular weight of Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate?
The molecular weight of Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate is 396.97 g/mol.
Where can I buy Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate?
You can request a quote for Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(2-bromo-4-chlorophenoxy)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.