Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate
TL;DR: Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate (CAS 133230-07-6) is a chemical compound with molecular formula C15H10ClF3N4O6 and molecular weight 434.0241 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,5-dinitrobenzoate
Also Known As: Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate, ethyl 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3,5-dinitrobenzoate, 4-(3-Chloro-5-trifluoromethyl-2-pyridinylamino)-3,5-dinitrobenzoic acid ethyl ester, Ethyl 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3,5-dinitro-benzoate, ethyl 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3,5-dinitrobenzoate
Technical Specifications
| Molecular Formula | C15H10ClF3N4O6 |
| Molecular Weight | 434.0241 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.0241 Da |
| Heavy Atoms | 29 |
| Complexity | 605.0 |
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | GSOKQXNEWJALBK-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate
Property Insights of Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate
The XLogP value of 4.7 indicates that Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate?
The CAS number of Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate is 133230-07-6.
What is the molecular formula of Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate?
The molecular formula of Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate is C15H10ClF3N4O6.
What is the molecular weight of Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate?
The molecular weight of Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate is 434.0241 g/mol.
Where can I buy Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate?
You can request a quote for Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.