![Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate structure](/static/products/3391/339101-34-7.webp)
Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate
TL;DR: Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate (CAS 339101-34-7) is a chemical compound with molecular formula C12H15F3N2O2 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate
Also Known As: Bionet2_000781, methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate, Methyl 4-((2-amino-4-(trifluoromethyl)phenyl)amino)butanoate, methylaminotrifluoromethylanilinobutanoate, Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butyrate
| Molecular Formula | C12H15F3N2O2 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 2.6527 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.10855 |
| Heavy Atoms | 19 |
| Complexity | 447.0909 |
Chemical Identifiers
| CAS Number | 339101-34-7 |
|---|---|
| SMILES | COC(=O)CCCNC1=C(C=C(C=C1)C(F)(F)F)N |
Product Overview
Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate (CAS 339101-34-7), with molecular formula C12H15F3N2O2 and molecular weight 276.11 g/mol. IUPAC: methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate.
Chemical Property Profile of Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate
Property Insights of Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate
The XLogP value of 2.6527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate. Following Lipinski's Rule of Five, Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate has 2 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 Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate?
The CAS number of Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate is 339101-34-7.
What is the molecular formula of Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate?
The molecular formula of Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate is C12H15F3N2O2.
What is the molecular weight of Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate?
The molecular weight of Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate is 276.11 g/mol.
Where can I buy Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate?
You can request a quote for Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2-amino-4-(trifluoromethyl)anilino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.