3-Methylphenyl (2-bromo-4-methylphenoxy)acetate
TL;DR: 3-Methylphenyl (2-bromo-4-methylphenoxy)acetate (CAS 457923-23-8) is a chemical compound with molecular formula C16H15BrO3 and molecular weight 334.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) 2-(2-bromo-4-methylphenoxy)acetate
Also Known As: 3-methylphenyl (2-bromo-4-methylphenoxy)acetate, (3-methylphenyl) 2-(2-bromo-4-methylphenoxy)acetate
| Molecular Formula | C16H15BrO3 |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | 4.05034 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.02045 |
| Heavy Atoms | 20 |
| Complexity | 622.8691 |
Chemical Identifiers
| CAS Number | 457923-23-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)COC2=C(C=C(C=C2)C)Br |
Product Overview
3-Methylphenyl (2-bromo-4-methylphenoxy)acetate (CAS 457923-23-8), with molecular formula C16H15BrO3 and molecular weight 334.02 g/mol. IUPAC: (3-methylphenyl) 2-(2-bromo-4-methylphenoxy)acetate.
Chemical Property Profile of 3-Methylphenyl (2-bromo-4-methylphenoxy)acetate
Property Insights of 3-Methylphenyl (2-bromo-4-methylphenoxy)acetate
The XLogP value of 4.05034 indicates that 3-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, 3-Methylphenyl (2-bromo-4-methylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylphenyl (2-bromo-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 3-Methylphenyl (2-bromo-4-methylphenoxy)acetate?
The CAS number of 3-Methylphenyl (2-bromo-4-methylphenoxy)acetate is 457923-23-8.
What is the molecular formula of 3-Methylphenyl (2-bromo-4-methylphenoxy)acetate?
The molecular formula of 3-Methylphenyl (2-bromo-4-methylphenoxy)acetate is C16H15BrO3.
What is the molecular weight of 3-Methylphenyl (2-bromo-4-methylphenoxy)acetate?
The molecular weight of 3-Methylphenyl (2-bromo-4-methylphenoxy)acetate is 334.02 g/mol.
Where can I buy 3-Methylphenyl (2-bromo-4-methylphenoxy)acetate?
You can request a quote for 3-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 3-Methylphenyl (2-bromo-4-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylphenyl (2-bromo-4-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.