methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate
TL;DR: methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate (CAS 372088-99-8) is a chemical compound with molecular formula C15H16F6N2O4 and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-(propan-2-yloxycarbonylamino)-2-[3-(trifluoromethyl)anilino]propanoate
Also Known As: methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate, methyl 3,3,3-trifluoro-2-(propan-2-yloxycarbonylamino)-2-[3-(trifluoromethyl)anilino]propanoate, methyl 3,3,3-trifluoro-N-[(propan-2-yloxy)carbonyl]-2-{[3-(trifluoromethyl)phenyl]amino}alaninate
| Molecular Formula | C15H16F6N2O4 |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 3.6835 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.10144 |
| Heavy Atoms | 27 |
| Complexity | 689.6201 |
Chemical Identifiers
| CAS Number | 372088-99-8 |
|---|---|
| SMILES | CC(C)OC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate (CAS 372088-99-8), with molecular formula C15H16F6N2O4 and molecular weight 402.10 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-(propan-2-yloxycarbonylamino)-2-[3-(trifluoromethyl)anilino]propanoate.
Chemical Property Profile of methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate
Property Insights of methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate
The XLogP value of 3.6835 indicates that methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)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 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate. Following Lipinski's Rule of Five, methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)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 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate?
The CAS number of methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate is 372088-99-8.
What is the molecular formula of methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate?
The molecular formula of methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate is C15H16F6N2O4.
What is the molecular weight of methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate?
The molecular weight of methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate is 402.10 g/mol.
Where can I buy methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate?
You can request a quote for methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.