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Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate
TL;DR: Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate (CAS 56395-51-8) is a chemical compound with molecular formula C13H15ClN2O5 and molecular weight 314.06696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(2-chloro-5-nitroanilino)-3-ethoxyprop-2-enoate
Also Known As: Ethyl 3-((2-chloro-5-nitrophenyl)amino)-3-ethoxyacrylate, Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate, Ethyl 3-ethoxy-3-((2-chloro-5-nitrophenyl)amino)-2-propenoate, 3-[(2-Chloro-5-nitrophenyl)amino]-3-ethoxypropenoic acid ethyl ester, 2-Propenoic acid, 3-((2-chloro-5-nitrophenyl)amino)-3-ethoxy-, ethyl ester
Technical Specifications
| Molecular Formula | C13H15ClN2O5 |
| Molecular Weight | 314.06696 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.06696 Da |
| Heavy Atoms | 21 |
| Complexity | 397.0 |
| SMILES | CCOC(=CC(=O)OCC)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl |
| InChIKey | HQNNPPIMYIDPEH-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate
Property Insights of Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate
The XLogP value of 3.8 indicates that Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate. Following Lipinski's Rule of Five, Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate?
The CAS number of Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate is 56395-51-8.
What is the molecular formula of Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate?
The molecular formula of Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate is C13H15ClN2O5.
What is the molecular weight of Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate?
The molecular weight of Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate is 314.06696 g/mol.
Where can I buy Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate?
You can request a quote for Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-ethoxyacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.