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Ethyl 4-[bis(2-fluoroethyl)amino]benzoate
TL;DR: Ethyl 4-[bis(2-fluoroethyl)amino]benzoate (CAS 15606-95-8) is a chemical compound with molecular formula C13H17F2NO2 and molecular weight 257.12274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[bis(2-fluoroethyl)amino]benzoate
Also Known As: ethyl 4-[bis(2-fluoroethyl)amino]benzoate, NCIOpen2_004672, ETHYL 4-(BIS(2-FLUOROETHYL)AMINO)BENZOATE
Technical Specifications
| Molecular Formula | C13H17F2NO2 |
| Molecular Weight | 257.12274 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 257.12274 Da |
| Heavy Atoms | 18 |
| Complexity | 237.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(CCF)CCF |
| InChIKey | YYQWFQQDHJWAAM-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-[bis(2-fluoroethyl)amino]benzoate
Property Insights of Ethyl 4-[bis(2-fluoroethyl)amino]benzoate
The XLogP value of 3.6 indicates that Ethyl 4-[bis(2-fluoroethyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 4-[bis(2-fluoroethyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[bis(2-fluoroethyl)amino]benzoate has 0 hydrogen bond donor(s) and 5 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 4-[bis(2-fluoroethyl)amino]benzoate?
The CAS number of Ethyl 4-[bis(2-fluoroethyl)amino]benzoate is 15606-95-8.
What is the molecular formula of Ethyl 4-[bis(2-fluoroethyl)amino]benzoate?
The molecular formula of Ethyl 4-[bis(2-fluoroethyl)amino]benzoate is C13H17F2NO2.
What is the molecular weight of Ethyl 4-[bis(2-fluoroethyl)amino]benzoate?
The molecular weight of Ethyl 4-[bis(2-fluoroethyl)amino]benzoate is 257.12274 g/mol.
Where can I buy Ethyl 4-[bis(2-fluoroethyl)amino]benzoate?
You can request a quote for Ethyl 4-[bis(2-fluoroethyl)amino]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-[bis(2-fluoroethyl)amino]benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-[bis(2-fluoroethyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.