![Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate structure](/static/products/6945/694514-98-2.webp)
Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate
TL;DR: Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate (CAS 694514-98-2) is a chemical compound with molecular formula C20H22BrNO6 and molecular weight 451.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
Also Known As: CBKinase1_005068, CBKinase1_017468, BRD-K56834903-001-01-6, methyl 2-(2-(4-bromo-3,5-dimethylphenoxy)acetamido)-4,5-dimethoxybenzoate, methyl 2-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
| Molecular Formula | C20H22BrNO6 |
|---|---|
| Molecular Weight | 451.06 g/mol |
| LogP | 3.88724 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.06305 |
| Heavy Atoms | 28 |
| Complexity | 873.5 |
Chemical Identifiers
| CAS Number | 694514-98-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Br)C)OCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC |
Product Overview
Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate (CAS 694514-98-2), with molecular formula C20H22BrNO6 and molecular weight 451.06 g/mol. IUPAC: methyl 2-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoate.
Chemical Property Profile of Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate
Property Insights of Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate
The XLogP value of 3.88724 indicates that Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate. Following Lipinski's Rule of Five, Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate has 1 hydrogen bond donor(s) and 6 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 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate?
The CAS number of Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate is 694514-98-2.
What is the molecular formula of Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate?
The molecular formula of Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate is C20H22BrNO6.
What is the molecular weight of Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate?
The molecular weight of Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate is 451.06 g/mol.
Where can I buy Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate?
You can request a quote for Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.