![3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid structure](/static/products/938/938129-15-8.png)
3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid
TL;DR: 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid (CAS 938129-15-8) is a chemical compound with molecular formula C16H14BrClO4 and molecular weight 383.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoic acid
Also Known As: 3-bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid, 3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoic acid, 3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxy-benzoic Acid, 3-Bromo-4-((4-chlorobenzyl)oxy)-5-ethoxybenzoic acid
| Molecular Formula | C16H14BrClO4 |
|---|---|
| Molecular Weight | 383.98 g/mol |
| LogP | 4.7784 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.9764 |
| Heavy Atoms | 22 |
| Complexity | 670.5912 |
Chemical Identifiers
| CAS Number | 938129-15-8 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CC=C(C=C2)Cl |
Product Overview
3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid (CAS 938129-15-8), with molecular formula C16H14BrClO4 and molecular weight 383.98 g/mol. IUPAC: 3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoic acid.
Chemical Property Profile of 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid
Property Insights of 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid
The XLogP value of 4.7784 indicates that 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid has 1 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-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid?
The CAS number of 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid is 938129-15-8.
What is the molecular formula of 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid?
The molecular formula of 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid is C16H14BrClO4.
What is the molecular weight of 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid?
The molecular weight of 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid is 383.98 g/mol.
Where can I buy 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid?
You can request a quote for 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.