Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate
TL;DR: Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate (CAS 885949-93-9) is a chemical compound with molecular formula C11H11F3N2O4 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate
Also Known As: Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate, methyl 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate, methyl 3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propanoate, Methyl 3-[2-nitro-4-(trifluoromethyl)anilino]-propanoate, methylnitrotrifluoromethylanilinopropanoate
| Molecular Formula | C11H11F3N2O4 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 2.5886 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.06708 |
| Heavy Atoms | 20 |
| Complexity | 516.87994 |
Chemical Identifiers
| CAS Number | 885949-93-9 |
|---|---|
| SMILES | COC(=O)CCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate (CAS 885949-93-9), with molecular formula C11H11F3N2O4 and molecular weight 292.07 g/mol. IUPAC: methyl 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate.
Chemical Property Profile of Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate
Property Insights of Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate
The XLogP value of 2.5886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate. Following Lipinski's Rule of Five, Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate has 1 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-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate?
The CAS number of Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate is 885949-93-9.
What is the molecular formula of Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate?
The molecular formula of Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate is C11H11F3N2O4.
What is the molecular weight of Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate?
The molecular weight of Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate is 292.07 g/mol.
Where can I buy Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate?
You can request a quote for Methyl 3-((2-nitro-4-(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-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-((2-nitro-4-(trifluoromethyl)phenyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.