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Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate
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 301.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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 | 301.03 g/mol |
| LogP | 2.6859 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.02725 |
| Heavy Atoms | 19 |
| Complexity | 480.41174 |
Chemical Identifiers
| CAS Number | 1164459-33-9 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)/C=C/C1=C(C=CC=C1Cl)Cl |
Product Overview
Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate (CAS 1164459-33-9), with molecular formula C13H13Cl2NO3 and molecular weight 301.03 g/mol. IUPAC: ethyl 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]acetate.
Chemical Property Profile of Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate
Property Insights of Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate
The XLogP value of 2.6859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate. 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.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate?
The CAS number of Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate is 1164459-33-9.
What is the molecular formula of Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate?
The molecular formula of Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate is C13H13Cl2NO3.
What is the molecular weight of Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate?
The molecular weight of Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate is 301.03 g/mol.
Where can I buy Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate?
You can request a quote for Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl {[3-(2,6-dichlorophenyl)acryloyl]amino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.