4W-0857
TL;DR: 4W-0857 (CAS 866019-27-4) is a chemical compound with molecular formula C21H27F3N2O4 and molecular weight 428.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-(4-ethylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoyl]piperidine-4-carboxylate
Also Known As: 4W-0857, Ethyl 1-[3-(4-ethylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoyl]piperidine-4-carboxylate, ethyl 1-{3-(4-ethylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoyl}-4-piperidinecarboxylate, ethyl 1-[3-(4-ethylphenyl)-3-(2,2,2-trifluoroacetamido)propanoyl]piperidine-4-carboxylate, ethyl1-[3-(4-ethylphenyl)-3-(2,2,2-trifluoroacetamido)propanoyl]piperidine-4-carboxylate
| Molecular Formula | C21H27F3N2O4 |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 3.1604 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.1923 |
| Heavy Atoms | 30 |
| Complexity | 741.6135 |
Chemical Identifiers
| CAS Number | 866019-27-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(CC(=O)N2CCC(CC2)C(=O)OCC)NC(=O)C(F)(F)F |
Product Overview
4W-0857 (CAS 866019-27-4), with molecular formula C21H27F3N2O4 and molecular weight 428.19 g/mol. IUPAC: ethyl 1-[3-(4-ethylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoyl]piperidine-4-carboxylate.
Chemical Property Profile of 4W-0857
Property Insights of 4W-0857
The XLogP value of 3.1604 indicates that 4W-0857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4W-0857. Following Lipinski's Rule of Five, 4W-0857 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 4W-0857?
The CAS number of 4W-0857 is 866019-27-4.
What is the molecular formula of 4W-0857?
The molecular formula of 4W-0857 is C21H27F3N2O4.
What is the molecular weight of 4W-0857?
The molecular weight of 4W-0857 is 428.19 g/mol.
Where can I buy 4W-0857?
You can request a quote for 4W-0857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4W-0857?
Yes, KEHONG BIO provides custom synthesis services for 4W-0857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.