(2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate
TL;DR: (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate (CAS 6986-82-9) 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.
(2,5-dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate
Also Known As: (2,5-dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate, 2,5-Dimethylphenyl (4-bromo-2-methylphenoxy)acetate, (2,5-dimethylphenyl) 2-(4-bromo-2-methyl-phenoxy)acetate
| Molecular Formula | C17H17BrO3 |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | 4.35876 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.0361 |
| Heavy Atoms | 21 |
| Complexity | 665.07996 |
Chemical Identifiers
| CAS Number | 6986-82-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OC(=O)COC2=C(C=C(C=C2)Br)C |
Product Overview
(2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate (CAS 6986-82-9), with molecular formula C17H17BrO3 and molecular weight 348.04 g/mol. IUPAC: (2,5-dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate.
Chemical Property Profile of (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate
Property Insights of (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate
The XLogP value of 4.35876 indicates that (2,5-Dimethylphenyl) 2-(4-bromo-2-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, (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,5-Dimethylphenyl) 2-(4-bromo-2-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 (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate?
The CAS number of (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate is 6986-82-9.
What is the molecular formula of (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate?
The molecular formula of (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate is C17H17BrO3.
What is the molecular weight of (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate?
The molecular weight of (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate is 348.04 g/mol.
Where can I buy (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate?
You can request a quote for (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for (2,5-Dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.