![N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea structure](/static/products/5879/5879-48-1.webp)
N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea
TL;DR: N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea (CAS 5879-48-1) is a chemical compound with molecular formula C26H39F3N4O3 and molecular weight 512.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea, 1-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxo-pentan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea, 1-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C26H39F3N4O3 |
|---|---|
| Molecular Weight | 512.30 g/mol |
| LogP | 5.2729 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 512.2974 |
| Heavy Atoms | 36 |
| Complexity | 870.23553 |
Chemical Identifiers
| CAS Number | 5879-48-1 |
|---|---|
| SMILES | CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea (CAS 5879-48-1), with molecular formula C26H39F3N4O3 and molecular weight 512.30 g/mol. IUPAC: 1-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea
Property Insights of N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea
The XLogP value of 5.2729 indicates that N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea. Following Lipinski's Rule of Five, N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea?
The CAS number of N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea is 5879-48-1.
What is the molecular formula of N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea?
The molecular formula of N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea is C26H39F3N4O3.
What is the molecular weight of N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea?
The molecular weight of N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea is 512.30 g/mol.
Where can I buy N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea?
You can request a quote for N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for N-[3-Methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.