4W-0847
TL;DR: 4W-0847 (CAS 866019-23-0) is a chemical compound with molecular formula C24H28F3N3O2 and molecular weight 447.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)-3-oxopropyl]-2,2,2-trifluoroacetamide
Also Known As: 4W-0847, N-[3-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)-3-oxopropyl]-2,2,2-trifluoroacetamide, N-[3-(4-benzylpiperazino)-1-(4-ethylphenyl)-3-oxopropyl]-2,2,2-trifluoroacetamide, N-[3-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)-3-oxo-propyl]-2,2,2-trifluoro-acetamide, N-[1-(4-Ethylphenyl)-3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2,2,2-trifluoroacetamide
| Molecular Formula | C24H28F3N3O2 |
|---|---|
| Molecular Weight | 447.21 g/mol |
| LogP | 3.7031 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.21335 |
| Heavy Atoms | 32 |
| Complexity | 892.9555 |
Chemical Identifiers
| CAS Number | 866019-23-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C(F)(F)F |
Product Overview
4W-0847 (CAS 866019-23-0), with molecular formula C24H28F3N3O2 and molecular weight 447.21 g/mol. IUPAC: N-[3-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)-3-oxopropyl]-2,2,2-trifluoroacetamide.
Chemical Property Profile of 4W-0847
Property Insights of 4W-0847
The XLogP value of 3.7031 indicates that 4W-0847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, 4W-0847 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4W-0847 has 1 hydrogen bond donor(s) and 3 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-0847?
The CAS number of 4W-0847 is 866019-23-0.
What is the molecular formula of 4W-0847?
The molecular formula of 4W-0847 is C24H28F3N3O2.
What is the molecular weight of 4W-0847?
The molecular weight of 4W-0847 is 447.21 g/mol.
Where can I buy 4W-0847?
You can request a quote for 4W-0847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4W-0847?
Yes, KEHONG BIO provides custom synthesis services for 4W-0847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.