Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate
TL;DR: Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate (CAS 305866-52-8) 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-ethoxy-3,3,3-trifluoro-2-[(4-methylphenyl)carbamoylamino]propanoate
Also Known As: NCI60_025568, ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(p-tolyl)ureido)propanoate, ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate, Ethyl 2-ethoxy-3,3,3-trifluoro-2-((4-toluidinocarbonyl)amino)propanoate, ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-methylphenyl)carbamoyl]alaninate
| Molecular Formula | C15H19F3N2O4 |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.1297 |
| Heavy Atoms | 24 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 305866-52-8 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)C)OCC |
| InChIKey | ZYEKTXIDNGLXRD-UHFFFAOYSA-N |
Product Overview
Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate (CAS 305866-52-8), with molecular formula C15H19F3N2O4 and molecular weight 348.13 g/mol. IUPAC: ethyl 2-ethoxy-3,3,3-trifluoro-2-[(4-methylphenyl)carbamoylamino]propanoate.
Chemical Property Profile of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate
Property Insights of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)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-(p-tolylcarbamoylamino)propanoate. Following Lipinski's Rule of Five, Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)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-(p-tolylcarbamoylamino)propanoate?
The CAS number of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate is 305866-52-8.
What is the molecular formula of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate?
The molecular formula of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate is C15H19F3N2O4.
What is the molecular weight of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate?
The molecular weight of Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate is 348.13 g/mol.
Where can I buy Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate?
You can request a quote for Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)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-(p-tolylcarbamoylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.