4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate
TL;DR: 4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate (CAS 587841-36-9) is a chemical compound with molecular formula C15H12BrClO3 and molecular weight 353.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-chlorophenyl) 2-(2-methylphenoxy)acetate
Also Known As: 4-bromo-2-chlorophenyl (2-methylphenoxy)acetate, 4-bromo-2-chlorophenyl 2-(o-tolyloxy)acetate, (4-bromo-2-chlorophenyl) 2-(2-methylphenoxy)acetate, AN-329/41609795, 4-bromo-2-chlorophenyl 2-(2-methylphenoxy)acetate
| Molecular Formula | C15H12BrClO3 |
|---|---|
| Molecular Weight | 353.97 g/mol |
| LogP | 4.39532 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.96582 |
| Heavy Atoms | 20 |
| Complexity | 628.26575 |
Chemical Identifiers
| CAS Number | 587841-36-9 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(=O)OC2=C(C=C(C=C2)Br)Cl |
Product Overview
4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate (CAS 587841-36-9), with molecular formula C15H12BrClO3 and molecular weight 353.97 g/mol. IUPAC: (4-bromo-2-chlorophenyl) 2-(2-methylphenoxy)acetate.
Chemical Property Profile of 4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate
Property Insights of 4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate
The XLogP value of 4.39532 indicates that 4-Bromo-2-chlorophenyl (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, 4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-chlorophenyl (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 4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate?
The CAS number of 4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate is 587841-36-9.
What is the molecular formula of 4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate?
The molecular formula of 4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate is C15H12BrClO3.
What is the molecular weight of 4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate?
The molecular weight of 4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate is 353.97 g/mol.
Where can I buy 4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate?
You can request a quote for 4-Bromo-2-chlorophenyl (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 4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-chlorophenyl (2-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.