5-Bromo-2-ethoxy-4-formylphenyl benzoate
TL;DR: 5-Bromo-2-ethoxy-4-formylphenyl benzoate (CAS 692266-89-0) is a chemical compound with molecular formula C16H13BrO4 and molecular weight 348.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-2-ethoxy-4-formylphenyl) benzoate
Also Known As: 5-bromo-2-ethoxy-4-formylphenyl benzoate, (5-bromo-2-ethoxy-4-formylphenyl) benzoate, (5-bromo-2-ethoxy-4-formyl-phenyl) benzoate, Benzaldehyde, 4-(benzoyloxy)-2-bromo-5-ethoxy-
| Molecular Formula | C16H13BrO4 |
|---|---|
| Molecular Weight | 348.00 g/mol |
| LogP | 3.8795 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.99973 |
| Heavy Atoms | 21 |
| Complexity | 652.8266 |
Chemical Identifiers
| CAS Number | 692266-89-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)C=O)Br)OC(=O)C2=CC=CC=C2 |
Product Overview
5-Bromo-2-ethoxy-4-formylphenyl benzoate (CAS 692266-89-0), with molecular formula C16H13BrO4 and molecular weight 348.00 g/mol. IUPAC: (5-bromo-2-ethoxy-4-formylphenyl) benzoate.
Chemical Property Profile of 5-Bromo-2-ethoxy-4-formylphenyl benzoate
Property Insights of 5-Bromo-2-ethoxy-4-formylphenyl benzoate
The XLogP value of 3.8795 indicates that 5-Bromo-2-ethoxy-4-formylphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 5-Bromo-2-ethoxy-4-formylphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-ethoxy-4-formylphenyl benzoate has 0 hydrogen bond donor(s) and 4 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 5-Bromo-2-ethoxy-4-formylphenyl benzoate?
The CAS number of 5-Bromo-2-ethoxy-4-formylphenyl benzoate is 692266-89-0.
What is the molecular formula of 5-Bromo-2-ethoxy-4-formylphenyl benzoate?
The molecular formula of 5-Bromo-2-ethoxy-4-formylphenyl benzoate is C16H13BrO4.
What is the molecular weight of 5-Bromo-2-ethoxy-4-formylphenyl benzoate?
The molecular weight of 5-Bromo-2-ethoxy-4-formylphenyl benzoate is 348.00 g/mol.
Where can I buy 5-Bromo-2-ethoxy-4-formylphenyl benzoate?
You can request a quote for 5-Bromo-2-ethoxy-4-formylphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-ethoxy-4-formylphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-ethoxy-4-formylphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.