4-(Allyloxy)-2-bromo-5-ethoxybenzoic acid
TL;DR: 4-(Allyloxy)-2-bromo-5-ethoxybenzoic acid (CAS 486994-79-0) is a chemical compound with molecular formula C12H13BrO4 and molecular weight 300.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-5-ethoxy-4-prop-2-enoxybenzoic acid
Also Known As: 4-(allyloxy)-2-bromo-5-ethoxybenzoic acid, 2-bromo-5-ethoxy-4-prop-2-enoxybenzoic acid, 2-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)benzoic acid, 4-allyloxy-2-bromo-5-ethoxy-benzoic acid, AN-655/37429010
| Molecular Formula | C12H13BrO4 |
|---|---|
| Molecular Weight | 300.00 g/mol |
| LogP | 3.1108 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.99973 |
| Heavy Atoms | 17 |
| Complexity | 428.75897 |
Chemical Identifiers
| CAS Number | 486994-79-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)C(=O)O)Br)OCC=C |
Product Overview
4-(Allyloxy)-2-bromo-5-ethoxybenzoic acid (CAS 486994-79-0), with molecular formula C12H13BrO4 and molecular weight 300.00 g/mol. IUPAC: 2-bromo-5-ethoxy-4-prop-2-enoxybenzoic acid.
Chemical Property Profile of 4-(Allyloxy)-2-bromo-5-ethoxybenzoic acid
Property Insights of 4-(Allyloxy)-2-bromo-5-ethoxybenzoic acid
The XLogP value of 3.1108 indicates that 4-(Allyloxy)-2-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-(Allyloxy)-2-bromo-5-ethoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Allyloxy)-2-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-(Allyloxy)-2-bromo-5-ethoxybenzoic acid?
The CAS number of 4-(Allyloxy)-2-bromo-5-ethoxybenzoic acid is 486994-79-0.
What is the molecular formula of 4-(Allyloxy)-2-bromo-5-ethoxybenzoic acid?
The molecular formula of 4-(Allyloxy)-2-bromo-5-ethoxybenzoic acid is C12H13BrO4.
What is the molecular weight of 4-(Allyloxy)-2-bromo-5-ethoxybenzoic acid?
The molecular weight of 4-(Allyloxy)-2-bromo-5-ethoxybenzoic acid is 300.00 g/mol.
Where can I buy 4-(Allyloxy)-2-bromo-5-ethoxybenzoic acid?
You can request a quote for 4-(Allyloxy)-2-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-(Allyloxy)-2-bromo-5-ethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Allyloxy)-2-bromo-5-ethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.