Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate
TL;DR: Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate (CAS 1025568-32-4) is a chemical compound with molecular formula C16H16F3N3O3 and molecular weight 355.11438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4,4,4-trifluoro-3-[[2-(1H-indol-3-yl)acetyl]hydrazinylidene]butanoate
Also Known As: ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate, Ethyl 4,4,4-trifluoro-3-[[2-(1H-indol-3-yl)acetyl]hydrazinylidene]butanoate, ethyl 4,4,4-trifluoro-3-[[2-(1H-indol-3-yl)acetyl]hydrazono]butanoate, ethyl (3Z)-4,4,4-trifluoro-3-{[2-(1H-indol-3-yl)acetamido]imino}butanoate
Technical Specifications
| Molecular Formula | C16H16F3N3O3 |
| Molecular Weight | 355.11438 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.11438 Da |
| Heavy Atoms | 25 |
| Complexity | 522.0 |
| SMILES | CCOC(=O)CC(=NNC(=O)CC1=CNC2=CC=CC=C21)C(F)(F)F |
| InChIKey | NRCSCZZCMCTKHO-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate
Property Insights of Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate. Following Lipinski's Rule of Five, Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate has 2 hydrogen bond donor(s) and 7 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-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate?
The CAS number of Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate is 1025568-32-4.
What is the molecular formula of Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate?
The molecular formula of Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate is C16H16F3N3O3.
What is the molecular weight of Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate?
The molecular weight of Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate is 355.11438 g/mol.
Where can I buy Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate?
You can request a quote for Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-aza-4-(2-indol-3-ylacetylamino)-3-(trifluoromethyl)but-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.