Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate
TL;DR: Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate (CAS 355147-94-3) is a chemical compound with molecular formula C15H19F3N2O4 and molecular weight 348.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-anilino-3,3,3-trifluoro-2-(propan-2-yloxycarbonylamino)propanoate
Also Known As: ethyl 2-anilino-3,3,3-trifluoro-2-(propan-2-yloxycarbonylamino)propanoate, ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate, ethyl 3,3,3-trifluoro-2-(phenylamino)-N-[(propan-2-yloxy)carbonyl]alaninate
| Molecular Formula | C15H19F3N2O4 |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 3.0548 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.1297 |
| Heavy Atoms | 24 |
| Complexity | 563.58765 |
Chemical Identifiers
| CAS Number | 355147-94-3 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=CC=C1)NC(=O)OC(C)C |
Product Overview
Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate (CAS 355147-94-3), with molecular formula C15H19F3N2O4 and molecular weight 348.13 g/mol. IUPAC: ethyl 2-anilino-3,3,3-trifluoro-2-(propan-2-yloxycarbonylamino)propanoate.
Chemical Property Profile of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate
Property Insights of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate
The XLogP value of 3.0548 indicates that Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate. Following Lipinski's Rule of Five, Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate has 2 hydrogen bond donor(s) and 5 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-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate?
The CAS number of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate is 355147-94-3.
What is the molecular formula of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate?
The molecular formula of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate is C15H19F3N2O4.
What is the molecular weight of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate?
The molecular weight of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate is 348.13 g/mol.
Where can I buy Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate?
You can request a quote for Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate 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-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(phenylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.