2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate
TL;DR: 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate (CAS 432004-98-3) is a chemical compound with molecular formula C18H17BrO5 and molecular weight 392.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(4-methylphenoxy)acetate
Also Known As: 2-(3-bromo-4-methoxyphenyl)-2-oxoethyl 2-(p-tolyloxy)acetate, 2-(3-bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate, [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(4-methylphenoxy)acetate
| Molecular Formula | C18H17BrO5 |
|---|---|
| Molecular Weight | 392.03 g/mol |
| LogP | 3.57102 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.02594 |
| Heavy Atoms | 24 |
| Complexity | 724.689 |
Chemical Identifiers
| CAS Number | 432004-98-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)OCC(=O)C2=CC(=C(C=C2)OC)Br |
Product Overview
2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate (CAS 432004-98-3), with molecular formula C18H17BrO5 and molecular weight 392.03 g/mol. IUPAC: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(4-methylphenoxy)acetate.
Chemical Property Profile of 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate
Property Insights of 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate
The XLogP value of 3.57102 indicates that 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate. Following Lipinski's Rule of Five, 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate has 0 hydrogen bond donor(s) and 5 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 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate?
The CAS number of 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate is 432004-98-3.
What is the molecular formula of 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate?
The molecular formula of 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate is C18H17BrO5.
What is the molecular weight of 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate?
The molecular weight of 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate is 392.03 g/mol.
Where can I buy 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate?
You can request a quote for 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Bromo-4-methoxyphenyl)-2-oxoethyl (4-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.