4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid
TL;DR: 4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid (CAS 712319-35-2) is a chemical compound with molecular formula C16H15BrO4 and molecular weight 350.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-ethoxy-4-phenylmethoxybenzoic acid
Also Known As: 4-(benzyloxy)-3-bromo-5-ethoxybenzoic acid, 3-bromo-5-ethoxy-4-phenylmethoxybenzoic acid, 3-bromo-5-ethoxy-4-phenylmethoxy-benzoic Acid
| Molecular Formula | C16H15BrO4 |
|---|---|
| Molecular Weight | 350.02 g/mol |
| LogP | 4.125 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.01538 |
| Heavy Atoms | 21 |
| Complexity | 625.67413 |
Chemical Identifiers
| CAS Number | 712319-35-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CC=CC=C2 |
Product Overview
4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid (CAS 712319-35-2), with molecular formula C16H15BrO4 and molecular weight 350.02 g/mol. IUPAC: 3-bromo-5-ethoxy-4-phenylmethoxybenzoic acid.
Chemical Property Profile of 4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid
Property Insights of 4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid
The XLogP value of 4.125 indicates that 4-(Benzyloxy)-3-bromo-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, 4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzyloxy)-3-bromo-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 4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid?
The CAS number of 4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid is 712319-35-2.
What is the molecular formula of 4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid?
The molecular formula of 4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid is C16H15BrO4.
What is the molecular weight of 4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid?
The molecular weight of 4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid is 350.02 g/mol.
Where can I buy 4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid?
You can request a quote for 4-(Benzyloxy)-3-bromo-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 4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzyloxy)-3-bromo-5-ethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.