Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate
TL;DR: Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate (CAS 424828-18-2) is a chemical compound with molecular formula C13H12Br2O4 and molecular weight 389.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate
Also Known As: ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate, Ethyl 4-(2,4-dibromo-6-formyl-phenoxy)but-2-enoate, ethyl (E)-4-(2,4-dibromo-6-formylphenoxy)-2-butenoate
| Molecular Formula | C13H12Br2O4 |
|---|---|
| Molecular Weight | 389.91 g/mol |
| LogP | 3.5222 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.91022 |
| Heavy Atoms | 19 |
| Complexity | 497.66174 |
Chemical Identifiers
| CAS Number | 424828-18-2 |
|---|---|
| SMILES | CCOC(=O)C=CCOC1=C(C=C(C=C1Br)Br)C=O |
Product Overview
Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate (CAS 424828-18-2), with molecular formula C13H12Br2O4 and molecular weight 389.91 g/mol. IUPAC: ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate.
Chemical Property Profile of Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate
Property Insights of Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate
The XLogP value of 3.5222 indicates that Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate 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 Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate?
The CAS number of Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate is 424828-18-2.
What is the molecular formula of Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate?
The molecular formula of Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate is C13H12Br2O4.
What is the molecular weight of Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate?
The molecular weight of Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate is 389.91 g/mol.
Where can I buy Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate?
You can request a quote for Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2,4-dibromo-6-formylphenoxy)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.