Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate
TL;DR: Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate (CAS 355155-92-9) is a chemical compound with molecular formula C14H16F4N2O4 and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate
Also Known As: NCI60_030499, ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate, ethyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-((4-fluorophenyl)amino)propanoate, Ethyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate, Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate
| Molecular Formula | C14H16F4N2O4 |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.1046 |
| Heavy Atoms | 24 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 355155-92-9 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)F)NC(=O)OCC |
| InChIKey | CCSFRRAOBXPBPN-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate (CAS 355155-92-9), with molecular formula C14H16F4N2O4 and molecular weight 352.10 g/mol. IUPAC: ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate.
Chemical Property Profile of Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate
Property Insights of Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate
The XLogP value of 4.0 indicates that Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate 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-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate. Following Lipinski's Rule of Five, Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate has 2 hydrogen bond donor(s) and 9 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-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate?
The CAS number of Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate is 355155-92-9.
What is the molecular formula of Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate?
The molecular formula of Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate is C14H16F4N2O4.
What is the molecular weight of Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate?
The molecular weight of Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate is 352.10 g/mol.
Where can I buy Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate?
You can request a quote for Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.