Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate
TL;DR: Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate (CAS 372153-00-9) is a chemical compound with molecular formula C20H20F4N2O3 and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-3,3,3-trifluoro-2-[2-(4-fluorophenyl)ethylamino]propanoate
Also Known As: Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate, (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-fluorophenethyl)amino)propanoate, Ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-([2-(4-fluorophenyl)ethyl]amino)propanoate #, ethyl 2-benzamido-3,3,3-trifluoro-2-[2-(4-fluorophenyl)ethylamino]propanoate, ethyl 3,3,3-trifluoro-2-{[2-(4-fluorophenyl)ethyl]amino}-N-(phenylcarbonyl)alaninate
| Molecular Formula | C20H20F4N2O3 |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 412.141 |
| Heavy Atoms | 29 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 372153-00-9 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NCCC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2 |
| InChIKey | ULJQZHMIJPGXPL-UHFFFAOYSA-N |
Product Overview
Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate (CAS 372153-00-9), with molecular formula C20H20F4N2O3 and molecular weight 412.14 g/mol. IUPAC: ethyl 2-benzamido-3,3,3-trifluoro-2-[2-(4-fluorophenyl)ethylamino]propanoate.
Chemical Property Profile of Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate
Property Insights of Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate
The XLogP value of 4.2 indicates that Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate 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 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate. Following Lipinski's Rule of Five, Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate 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-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate?
The CAS number of Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate is 372153-00-9.
What is the molecular formula of Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate?
The molecular formula of Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate is C20H20F4N2O3.
What is the molecular weight of Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate?
The molecular weight of Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate is 412.14 g/mol.
Where can I buy Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate?
You can request a quote for Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzamido-3,3,3-trifluoro-2-(4-fluorophenethylamino)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.