TL;DR: Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate (CAS 1164459-33-9) is a chemical compound with molecular formula C13H13Cl2NO3 and molecular weight 301.02725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]acetate
Also Known As: ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate, ethyl N-[3-(2,6-dichlorophenyl)acryloyl]glycinate, (E)-ethyl 2-(3-(2,6-dichlorophenyl)acrylamido)acetate, ethyl 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]acetate, ethyl N-[(2E)-3-(2,6-dichlorophenyl)prop-2-enoyl]glycinate
| Molecular Formula | C13H13Cl2NO3 |
| Molecular Weight | 301.02725 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.02725 Da |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
| SMILES | CCOC(=O)CNC(=O)/C=C/C1=C(C=CC=C1Cl)Cl |
| InChIKey | RVSYOJYKJWGMCJ-VOTSOKGWSA-N |
The XLogP value of 3.2 indicates that Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate is 1164459-33-9.
The molecular formula of Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate is C13H13Cl2NO3.
The molecular weight of Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate is 301.02725 g/mol.
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