![N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea structure](/static/products/164/1648-52-8.png)
N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea
TL;DR: N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea (CAS 1648-52-8) is a chemical compound with molecular formula C13H17F3N2O and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 1-butyl-1-methyl-3-[3-(trifluoromethyl)phenyl]urea, 3-butyl-3-methyl-1-[3-(trifluoromethyl)phenyl]urea, 1-Butyl-1-methyl-3-(3-(trifluoromethyl)phenyl)urea, N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C13H17F3N2O |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 3.9692 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.1293 |
| Heavy Atoms | 19 |
| Complexity | 432.14166 |
Chemical Identifiers
| CAS Number | 1648-52-8 |
|---|---|
| SMILES | CCCCN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea (CAS 1648-52-8), with molecular formula C13H17F3N2O and molecular weight 274.13 g/mol. IUPAC: 1-butyl-1-methyl-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea
Property Insights of N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea
The XLogP value of 3.9692 indicates that N-butyl-N-methyl-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 32.34 Ų, N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea has 1 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-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea?
The CAS number of N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea is 1648-52-8.
What is the molecular formula of N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea?
The molecular formula of N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea is C13H17F3N2O.
What is the molecular weight of N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea?
The molecular weight of N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea is 274.13 g/mol.
Where can I buy N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea?
You can request a quote for N-butyl-N-methyl-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-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.