ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate
TL;DR: ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate (CAS 89640-32-4) is a chemical compound with molecular formula C7H6Cl4O3 and molecular weight 277.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2,4,5-tetrachloro-3-oxopent-4-enoate
Also Known As: ethyl 2,2,4,5-tetrachloro-3-oxopent-4-enoate, Ethyl 2,2,4,5-tetrachloro-3-oxo-pent-4-enoate, ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate, 1,2,4,4-Tetrachlor-3-oxo-penten-(1)-saeure-(5)-aethylester
| Molecular Formula | C7H6Cl4O3 |
|---|---|
| Molecular Weight | 277.91 g/mol |
| LogP | 2.6115 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.9071 |
| Heavy Atoms | 14 |
| Complexity | 272.10846 |
Chemical Identifiers
| CAS Number | 89640-32-4 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C(=CCl)Cl)(Cl)Cl |
Product Overview
ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate (CAS 89640-32-4), with molecular formula C7H6Cl4O3 and molecular weight 277.91 g/mol. IUPAC: ethyl 2,2,4,5-tetrachloro-3-oxopent-4-enoate.
Chemical Property Profile of ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate
Property Insights of ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate
The XLogP value of 2.6115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate. With a topological polar surface area (TPSA) of 43.37 Ų, ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate has 0 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 ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate?
The CAS number of ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate is 89640-32-4.
What is the molecular formula of ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate?
The molecular formula of ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate is C7H6Cl4O3.
What is the molecular weight of ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate?
The molecular weight of ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate is 277.91 g/mol.
Where can I buy ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate?
You can request a quote for ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (4E)-2,2,4,5-tetrachloro-3-oxo-4-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.