![Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate structure](/static/products/886/886360-57-2.png)
Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate
TL;DR: Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate (CAS 886360-57-2) is a chemical compound with molecular formula C13H13F3N2O4 and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl]benzoate
Also Known As: Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate, 1891AF, Methyl 4-(3-amino-3-oxo-1-(2,2,2-trifluoroacetamido)propyl)benzoate, methyl 4-[3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl]benzoate, Methyl 4-(3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl)benzenecarboxylate
| Molecular Formula | C13H13F3N2O4 |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 1.0682 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.08273 |
| Heavy Atoms | 22 |
| Complexity | 569.64307 |
Chemical Identifiers
| CAS Number | 886360-57-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(CC(=O)N)NC(=O)C(F)(F)F |
Product Overview
Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate (CAS 886360-57-2), with molecular formula C13H13F3N2O4 and molecular weight 318.08 g/mol. IUPAC: methyl 4-[3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl]benzoate.
Chemical Property Profile of Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate
Property Insights of Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate
The XLogP value of 1.0682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate 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-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate?
The CAS number of Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate is 886360-57-2.
What is the molecular formula of Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate?
The molecular formula of Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate is C13H13F3N2O4.
What is the molecular weight of Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate?
The molecular weight of Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate is 318.08 g/mol.
Where can I buy Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate?
You can request a quote for Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{3-amino-3-oxo-1-[(2,2,2-trifluoroacetyl)amino]propyl}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.