Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate
TL;DR: Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate (CAS 340032-54-4) is a chemical compound with molecular formula C17H23F3N4O3 and molecular weight 388.1722 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-benzamido-3,3,3-trifluoro-2-[(4-methylpiperazin-1-yl)amino]propanoate
Also Known As: Ethyl 2-benzamido-3,3,3-trifluoro-2-[(4-methylpiperazin-1-yl)amino]propanoate, ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate, ethyl 3,3,3-trifluoro-2-[(4-methylpiperazin-1-yl)amino]-N-(phenylcarbonyl)alaninate
Technical Specifications
| Molecular Formula | C17H23F3N4O3 |
| Molecular Weight | 388.1722 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.1722 Da |
| Heavy Atoms | 27 |
| Complexity | 518.0 |
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)NN2CCN(CC2)C |
| InChIKey | QXPWDHNTAKXOHI-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate
Property Insights of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate. Following Lipinski's Rule of Five, Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate has 2 hydrogen bond donor(s) and 9 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 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate?
The CAS number of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate is 340032-54-4.
What is the molecular formula of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate?
The molecular formula of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate is C17H23F3N4O3.
What is the molecular weight of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate?
The molecular weight of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate is 388.1722 g/mol.
Where can I buy Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate?
You can request a quote for Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-methylpiperazin-1-yl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.