![ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate structure](/static/products/329/329182-52-7.png)
ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate
TL;DR: ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate (CAS 329182-52-7) is a chemical compound with molecular formula C19H17F6N3O3 and molecular weight 449.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-(phenylcarbamoylamino)-2-[3-(trifluoromethyl)anilino]propanoate
Also Known As: ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate, ethyl 3,3,3-trifluoro-2-(3-phenylureido)-2-((3-(trifluoromethyl)phenyl)amino)propanoate, ethyl 3,3,3-trifluoro-2-(phenylcarbamoylamino)-2-[3-(trifluoromethyl)anilino]propanoate, Ethyl 3,3,3-trifluoro-2-(phenylcarbamoylamino)-2-[[3-(trifluoromethyl)phenyl]amino]propanoate
| Molecular Formula | C19H17F6N3O3 |
|---|---|
| Molecular Weight | 449.12 g/mol |
| LogP | 4.7607 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.1174 |
| Heavy Atoms | 31 |
| Complexity | 918.0945 |
Chemical Identifiers
| CAS Number | 329182-52-7 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=CC(=C1)C(F)(F)F)NC(=O)NC2=CC=CC=C2 |
Product Overview
ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate (CAS 329182-52-7), with molecular formula C19H17F6N3O3 and molecular weight 449.12 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-(phenylcarbamoylamino)-2-[3-(trifluoromethyl)anilino]propanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate
Property Insights of ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate
The XLogP value of 4.7607 indicates that ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate has 3 hydrogen bond donor(s) and 4 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-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
The CAS number of ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate is 329182-52-7.
What is the molecular formula of ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
The molecular formula of ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate is C19H17F6N3O3.
What is the molecular weight of ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
The molecular weight of ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate is 449.12 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
You can request a quote for ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate 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-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-N-(phenylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]amino}alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.