![4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate structure](/static/products/866/866039-30-7.png)
4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate
TL;DR: 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate (CAS 866039-30-7) is a chemical compound with molecular formula C18H12ClF3N2O3 and molecular weight 396.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate
Also Known As: 4-cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate, (4-cyanophenyl) 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate, 4-cyanophenyl 3-(4-chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoate, 5T-0622, 4-cyanophenyl3-(4-chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoate
| Molecular Formula | C18H12ClF3N2O3 |
|---|---|
| Molecular Weight | 396.05 g/mol |
| LogP | 3.92698 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.04886 |
| Heavy Atoms | 27 |
| Complexity | 859.40594 |
Chemical Identifiers
| CAS Number | 866039-30-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)C(F)(F)F |
Product Overview
4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate (CAS 866039-30-7), with molecular formula C18H12ClF3N2O3 and molecular weight 396.05 g/mol. IUPAC: (4-cyanophenyl) 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate.
Chemical Property Profile of 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate
Property Insights of 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate
The XLogP value of 3.92698 indicates that 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate. Following Lipinski's Rule of Five, 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate has 1 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 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate?
The CAS number of 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate is 866039-30-7.
What is the molecular formula of 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate?
The molecular formula of 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate is C18H12ClF3N2O3.
What is the molecular weight of 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate?
The molecular weight of 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate is 396.05 g/mol.
Where can I buy 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate?
You can request a quote for 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenyl 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.