![N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea structure](/static/products/266/26683-58-9.png)
N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea
TL;DR: N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea (CAS 26683-58-9) is a chemical compound with molecular formula C12H15F3N2O and molecular weight 260.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea, 1-isobutyl-3-(3-trifluoromethyl-phenyl)-urea, 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea, 3-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C12H15F3N2O |
|---|---|
| Molecular Weight | 260.11 g/mol |
| LogP | 3.4829 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.11365 |
| Heavy Atoms | 18 |
| Complexity | 416.02872 |
Chemical Identifiers
| CAS Number | 26683-58-9 |
|---|---|
| SMILES | CC(C)CNC(=O)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea (CAS 26683-58-9), with molecular formula C12H15F3N2O and molecular weight 260.11 g/mol. IUPAC: 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea
Property Insights of N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea
The XLogP value of 3.4829 indicates that N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea has 2 hydrogen bond donor(s) and 1 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 N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea?
The CAS number of N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea is 26683-58-9.
What is the molecular formula of N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea?
The molecular formula of N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea is C12H15F3N2O.
What is the molecular weight of N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea?
The molecular weight of N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea is 260.11 g/mol.
Where can I buy N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea?
You can request a quote for N-isobutyl-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-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for N-isobutyl-N'-[3-(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.