Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate
TL;DR: Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate (CAS 339351-80-3) is a chemical compound with molecular formula C18H25F3N2O4 and molecular weight 390.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-(propanoylamino)propanoate
Also Known As: Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate, ethyl 2-((4-butoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate, ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-(propanoylamino)propanoate, Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-(propionylamino)propanoate #, ethyl 2-[(4-butoxyphenyl)amino]-3,3,3-trifluoro-N-propanoylalaninate
| Molecular Formula | C18H25F3N2O4 |
|---|---|
| Molecular Weight | 390.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 390.17664 |
| Heavy Atoms | 27 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 339351-80-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)NC(C(=O)OCC)(C(F)(F)F)NC(=O)CC |
| InChIKey | PTLFTAYHPGUVHC-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate (CAS 339351-80-3), with molecular formula C18H25F3N2O4 and molecular weight 390.18 g/mol. IUPAC: ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-(propanoylamino)propanoate.
Chemical Property Profile of Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate
Property Insights of Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate
The XLogP value of 4.8 indicates that Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate. Following Lipinski's Rule of Five, Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate?
The CAS number of Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate is 339351-80-3.
What is the molecular formula of Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate?
The molecular formula of Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate is C18H25F3N2O4.
What is the molecular weight of Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate?
The molecular weight of Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate is 390.18 g/mol.
Where can I buy Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate?
You can request a quote for Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-butoxyanilino)-3,3,3-trifluoro-2-propionamidopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.