![N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea structure](/static/products/138/138416-22-5.png)
N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea
TL;DR: N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea (CAS 138416-22-5) is a chemical compound with molecular formula C15H13F3N2O and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 1-benzyl-3-(3-trifluoromethylphenyl)urea, 1-benzyl-3-[3-(trifluoromethyl)phenyl]urea, N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C15H13F3N2O |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.098 |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 138416-22-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | WZBDFFDQXOQUPA-UHFFFAOYSA-N |
Product Overview
N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea (CAS 138416-22-5), with molecular formula C15H13F3N2O and molecular weight 294.10 g/mol. IUPAC: 1-benzyl-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea
Property Insights of N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea
The XLogP value of 3.9 indicates that N-benzyl-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 41.1 Ų, N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea has 2 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 N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea?
The CAS number of N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea is 138416-22-5.
What is the molecular formula of N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea?
The molecular formula of N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea is C15H13F3N2O.
What is the molecular weight of N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea?
The molecular weight of N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea is 294.10 g/mol.
Where can I buy N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea?
You can request a quote for N-benzyl-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-benzyl-N'-[3-(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N'-[3-(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.