4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate
TL;DR: 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate (CAS 587841-39-2) is a chemical compound with molecular formula C16H14BrClO3 and molecular weight 367.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-chlorophenyl) 2-(2,5-dimethylphenoxy)acetate
Also Known As: 4-bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate, AN-329/41609813, (4-bromo-2-chlorophenyl) 2-(2,5-dimethylphenoxy)acetate, 4-bromo-2-chlorophenyl 2-(2,5-dimethylphenoxy)acetate
| Molecular Formula | C16H14BrClO3 |
|---|---|
| Molecular Weight | 367.98 g/mol |
| LogP | 4.70374 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.98148 |
| Heavy Atoms | 21 |
| Complexity | 670.56683 |
Chemical Identifiers
| CAS Number | 587841-39-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OCC(=O)OC2=C(C=C(C=C2)Br)Cl |
Product Overview
4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate (CAS 587841-39-2), with molecular formula C16H14BrClO3 and molecular weight 367.98 g/mol. IUPAC: (4-bromo-2-chlorophenyl) 2-(2,5-dimethylphenoxy)acetate.
Chemical Property Profile of 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate
Property Insights of 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate
The XLogP value of 4.70374 indicates that 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)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, 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)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 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate?
The CAS number of 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate is 587841-39-2.
What is the molecular formula of 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate?
The molecular formula of 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate is C16H14BrClO3.
What is the molecular weight of 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate?
The molecular weight of 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate is 367.98 g/mol.
Where can I buy 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate?
You can request a quote for 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-chlorophenyl (2,5-dimethylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.