Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate
TL;DR: Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate (CAS 339351-81-4) is a chemical compound with molecular formula C17H23F3N2O3 and molecular weight 360.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-propan-2-ylanilino)propanoate
Also Known As: Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate, ethyl 3,3,3-trifluoro-2-((4-isopropylphenyl)amino)-2-propionamidopropanoate, Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-(propionylamino)propanoate #, ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-propan-2-ylanilino)propanoate, ethyl 3,3,3-trifluoro-N-propanoyl-2-{[4-(propan-2-yl)phenyl]amino}alaninate
| Molecular Formula | C17H23F3N2O3 |
|---|---|
| Molecular Weight | 360.17 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.16608 |
| Heavy Atoms | 25 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 339351-81-4 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)C(C)C |
| InChIKey | MVJFMSVQPNFFSC-UHFFFAOYSA-N |
Product Overview
Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate (CAS 339351-81-4), with molecular formula C17H23F3N2O3 and molecular weight 360.17 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-propan-2-ylanilino)propanoate.
Chemical Property Profile of Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate
Property Insights of Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate
The XLogP value of 4.7 indicates that Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate. Following Lipinski's Rule of Five, Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate 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
Frequently Asked Questions
What is the CAS number of Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate?
The CAS number of Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate is 339351-81-4.
What is the molecular formula of Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate?
The molecular formula of Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate is C17H23F3N2O3.
What is the molecular weight of Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate?
The molecular weight of Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate is 360.17 g/mol.
Where can I buy Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate?
You can request a quote for Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-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 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3,3-trifluoro-2-(4-isopropylanilino)-2-propionamidopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.