2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate
TL;DR: 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate (CAS 514823-99-5) is a chemical compound with molecular formula C17H17BrO3 and molecular weight 348.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4-ethylphenyl) 2-(4-methylphenoxy)acetate
Also Known As: 2-bromo-4-ethylphenyl (4-methylphenoxy)acetate, 2-bromo-4-ethylphenyl 2-(p-tolyloxy)acetate, (2-bromo-4-ethylphenyl) 2-(4-methylphenoxy)acetate, 2-bromo-4-ethylphenyl 2-(4-methylphenoxy)acetate, AN-329/41583569
| Molecular Formula | C17H17BrO3 |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | 4.30432 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.0361 |
| Heavy Atoms | 21 |
| Complexity | 620.4324 |
Chemical Identifiers
| CAS Number | 514823-99-5 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)OC(=O)COC2=CC=C(C=C2)C)Br |
Product Overview
2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate (CAS 514823-99-5), with molecular formula C17H17BrO3 and molecular weight 348.04 g/mol. IUPAC: (2-bromo-4-ethylphenyl) 2-(4-methylphenoxy)acetate.
Chemical Property Profile of 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate
Property Insights of 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate
The XLogP value of 4.30432 indicates that 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate has 0 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 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate?
The CAS number of 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate is 514823-99-5.
What is the molecular formula of 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate?
The molecular formula of 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate is C17H17BrO3.
What is the molecular weight of 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate?
The molecular weight of 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate is 348.04 g/mol.
Where can I buy 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate?
You can request a quote for 2-Bromo-4-ethylphenyl (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-Bromo-4-ethylphenyl (4-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-ethylphenyl (4-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.