Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate
TL;DR: Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate (CAS 866017-66-5) is a chemical compound with molecular formula C16H19Cl2NO3 and molecular weight 343.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2,4-dichlorophenyl)methyl]-5-(dimethylamino)-3-oxopent-4-enoate
Also Known As: ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate, ethyl 2-[(2,4-dichlorophenyl)methyl]-5-(dimethylamino)-3-oxopent-4-enoate, Ethyl (E)-2-(2,4-dichlorobenZyl)-5-(dimethylamino)-3-oxo-4-pentenoate, Ethyl 2-[(2,4-dichlorophenyl)methyl]-5-dimethylamino-3-oxo-pent-4-enoate
| Molecular Formula | C16H19Cl2NO3 |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 3.3596 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.0742 |
| Heavy Atoms | 22 |
| Complexity | 570.5094 |
Chemical Identifiers
| CAS Number | 866017-66-5 |
|---|---|
| SMILES | CCOC(=O)C(CC1=C(C=C(C=C1)Cl)Cl)C(=O)C=CN(C)C |
Product Overview
Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate (CAS 866017-66-5), with molecular formula C16H19Cl2NO3 and molecular weight 343.07 g/mol. IUPAC: ethyl 2-[(2,4-dichlorophenyl)methyl]-5-(dimethylamino)-3-oxopent-4-enoate.
Chemical Property Profile of Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate
Property Insights of Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate
The XLogP value of 3.3596 indicates that Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate 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 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate?
The CAS number of Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate is 866017-66-5.
What is the molecular formula of Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate?
The molecular formula of Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate is C16H19Cl2NO3.
What is the molecular weight of Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate?
The molecular weight of Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate is 343.07 g/mol.
Where can I buy Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate?
You can request a quote for Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-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 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.