4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate
TL;DR: 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate (CAS 457924-24-2) is a chemical compound with molecular formula C19H20Br2O3 and molecular weight 453.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-5-methyl-2-propan-2-ylphenyl) 2-(2-bromo-4-methylphenoxy)acetate
Also Known As: 4-bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate, AN-329/40887384, (4-bromo-5-methyl-2-propan-2-ylphenyl) 2-(2-bromo-4-methylphenoxy)acetate, 4-bromo-5-methyl-2-(methylethyl)phenyl 2-(2-bromo-4-methylphenoxy)acetate, 4-bromo-5-methyl-2-(propan-2-yl)phenyl (2-bromo-4-methylphenoxy)acetate
| Molecular Formula | C19H20Br2O3 |
|---|---|
| Molecular Weight | 453.98 g/mol |
| LogP | 5.93624 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.9779 |
| Heavy Atoms | 24 |
| Complexity | 754.5174 |
Chemical Identifiers
| CAS Number | 457924-24-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)OC2=C(C=C(C(=C2)C)Br)C(C)C)Br |
Product Overview
4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate (CAS 457924-24-2), with molecular formula C19H20Br2O3 and molecular weight 453.98 g/mol. IUPAC: (4-bromo-5-methyl-2-propan-2-ylphenyl) 2-(2-bromo-4-methylphenoxy)acetate.
Chemical Property Profile of 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate
Property Insights of 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate
The XLogP value of 5.93624 indicates that 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-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, 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate?
The CAS number of 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate is 457924-24-2.
What is the molecular formula of 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate?
The molecular formula of 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate is C19H20Br2O3.
What is the molecular weight of 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate?
The molecular weight of 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate is 453.98 g/mol.
Where can I buy 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate?
You can request a quote for 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-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 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-isopropyl-5-methylphenyl (2-bromo-4-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.