Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate
TL;DR: Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate (CAS 327099-76-3) is a chemical compound with molecular formula C14H17F3N2O4 and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate
Also Known As: ethyl 2-ethoxy-3,3,3-trifluoro-N-(phenylcarbamoyl)alaninate, ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate, ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-phenylureido)propanoate, 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propionic acid ethyl ester, ethyl 2-ethoxy-3,3,3-tris(fluoranyl)-2-(phenylcarbamoylamino)propanoate
| Molecular Formula | C14H17F3N2O4 |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.11404 |
| Heavy Atoms | 23 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 327099-76-3 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=CC=C1)OCC |
| InChIKey | CDNWACXFHZSQPR-UHFFFAOYSA-N |
Product Overview
Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate (CAS 327099-76-3), with molecular formula C14H17F3N2O4 and molecular weight 334.11 g/mol. IUPAC: ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate.
Chemical Property Profile of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate
Property Insights of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate. Following Lipinski's Rule of Five, Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate 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 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate?
The CAS number of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate is 327099-76-3.
What is the molecular formula of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate?
The molecular formula of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate is C14H17F3N2O4.
What is the molecular weight of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate?
The molecular weight of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate is 334.11 g/mol.
Where can I buy Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate?
You can request a quote for Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)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-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-ethoxy-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.