![methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate structure](/static/products/327/327098-65-7.png)
methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate
TL;DR: methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate (CAS 327098-65-7) is a chemical compound with molecular formula C14H14F6N2O4 and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate
Also Known As: methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate, methyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate, methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-((3-(trifluoromethyl)phenyl)amino)propanoate, methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]a mino}propanoate
| Molecular Formula | C14H14F6N2O4 |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 3.295 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.0858 |
| Heavy Atoms | 26 |
| Complexity | 661.57245 |
Chemical Identifiers
| CAS Number | 327098-65-7 |
|---|---|
| SMILES | CCOC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate (CAS 327098-65-7), with molecular formula C14H14F6N2O4 and molecular weight 388.09 g/mol. IUPAC: methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate.
Chemical Property Profile of methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate
Property Insights of methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate
The XLogP value of 3.295 indicates that methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]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 methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate. Following Lipinski's Rule of Five, methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]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 methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate?
The CAS number of methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate is 327098-65-7.
What is the molecular formula of methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate?
The molecular formula of methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate is C14H14F6N2O4.
What is the molecular weight of methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate?
The molecular weight of methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate is 388.09 g/mol.
Where can I buy methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate?
You can request a quote for methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.