2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate
TL;DR: 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate (CAS 514824-06-7) is a chemical compound with molecular formula C18H19BrO5 and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4-ethylphenyl) 3,4,5-trimethoxybenzoate
Also Known As: 2-bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate, (2-bromo-4-ethylphenyl) 3,4,5-trimethoxybenzoate, AB00322053-03, AN-329/41583575
| Molecular Formula | C18H19BrO5 |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 4.2565 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.0416 |
| Heavy Atoms | 24 |
| Complexity | 717.17926 |
Chemical Identifiers
| CAS Number | 514824-06-7 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)Br |
Product Overview
2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate (CAS 514824-06-7), with molecular formula C18H19BrO5 and molecular weight 394.04 g/mol. IUPAC: (2-bromo-4-ethylphenyl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate
Property Insights of 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate
The XLogP value of 4.2565 indicates that 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 5 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 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate?
The CAS number of 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate is 514824-06-7.
What is the molecular formula of 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate?
The molecular formula of 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate is C18H19BrO5.
What is the molecular weight of 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate?
The molecular weight of 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate is 394.04 g/mol.
Where can I buy 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate?
You can request a quote for 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-ethylphenyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.