Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate
TL;DR: Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate (CAS 371948-48-0) is a chemical compound with molecular formula C15H18F4N2O3 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-[(4-fluorophenyl)methylamino]-2-(propanoylamino)propanoate
Also Known As: Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate, ethyl 3,3,3-trifluoro-2-[(4-fluorobenzyl)amino]-N-propanoylalaninate, (S)-ethyl 3,3,3-trifluoro-2-((4-fluorobenzyl)amino)-2-propionamidopropanoate, Ethyl 3,3,3-trifluoro-2-[(4-fluorobenzyl)amino]-2-(propionylamino)propanoate #, ethyl 3,3,3-trifluoro-2-[(4-fluorophenyl)methylamino]-2-(propanoylamino)propanoate
| Molecular Formula | C15H18F4N2O3 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.12537 |
| Heavy Atoms | 24 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 371948-48-0 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NCC1=CC=C(C=C1)F |
| InChIKey | AWNJHVMLZCCILB-UHFFFAOYSA-N |
Product Overview
Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate (CAS 371948-48-0), with molecular formula C15H18F4N2O3 and molecular weight 350.13 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-[(4-fluorophenyl)methylamino]-2-(propanoylamino)propanoate.
Chemical Property Profile of Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate
Property Insights of Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate. Following Lipinski's Rule of Five, Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-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 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate?
The CAS number of Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate is 371948-48-0.
What is the molecular formula of Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate?
The molecular formula of Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate is C15H18F4N2O3.
What is the molecular weight of Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate?
The molecular weight of Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate is 350.13 g/mol.
Where can I buy Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate?
You can request a quote for Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-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-fluorobenzylamino)-2-propionamidopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3,3-trifluoro-2-(4-fluorobenzylamino)-2-propionamidopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.