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Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate
TL;DR: Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate (CAS 338785-15-2) is a chemical compound with molecular formula C18H15F3N2O3 and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-benzamido-3-[3-(trifluoromethyl)anilino]prop-2-enoate
Also Known As: Bionet1_001008, methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate, methyl 2-benzamido-3-[3-(trifluoromethyl)anilino]prop-2-enoate
| Molecular Formula | C18H15F3N2O3 |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 3.5617 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.1035 |
| Heavy Atoms | 26 |
| Complexity | 817.9311 |
Chemical Identifiers
| CAS Number | 338785-15-2 |
|---|---|
| SMILES | COC(=O)C(=CNC1=CC=CC(=C1)C(F)(F)F)NC(=O)C2=CC=CC=C2 |
Product Overview
Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate (CAS 338785-15-2), with molecular formula C18H15F3N2O3 and molecular weight 364.10 g/mol. IUPAC: methyl 2-benzamido-3-[3-(trifluoromethyl)anilino]prop-2-enoate.
Chemical Property Profile of Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate
Property Insights of Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate
The XLogP value of 3.5617 indicates that Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate. Following Lipinski's Rule of Five, Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate 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 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate?
The CAS number of Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate is 338785-15-2.
What is the molecular formula of Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate?
The molecular formula of Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate is C18H15F3N2O3.
What is the molecular weight of Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate?
The molecular weight of Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate is 364.10 g/mol.
Where can I buy Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate?
You can request a quote for Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(benzoylamino)-3-[3-(trifluoromethyl)anilino]acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.