![N-[3-(trifluoromethyl)benzyl]urea structure](/static/products/2962/296277-59-3.webp)
N-[3-(trifluoromethyl)benzyl]urea
TL;DR: N-[3-(trifluoromethyl)benzyl]urea (CAS 296277-59-3) is a chemical compound with molecular formula C9H9F3N2O and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethyl)phenyl]methylurea
Also Known As: N-[3-(trifluoromethyl)benzyl]urea, trifluoromethylbenzylurea, [3-(trifluoromethyl)phenyl]methylurea, 1-(3-(Trifluoromethyl)benzyl)urea, {[3-(trifluoromethyl)phenyl]methyl}urea
| Molecular Formula | C9H9F3N2O |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.8737 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0667 |
| Heavy Atoms | 15 |
| Complexity | 362.62024 |
Chemical Identifiers
| CAS Number | 296277-59-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)N |
Product Overview
N-[3-(trifluoromethyl)benzyl]urea (CAS 296277-59-3), with molecular formula C9H9F3N2O and molecular weight 218.07 g/mol. IUPAC: [3-(trifluoromethyl)phenyl]methylurea.
Chemical Property Profile of N-[3-(trifluoromethyl)benzyl]urea
Property Insights of N-[3-(trifluoromethyl)benzyl]urea
The XLogP value of 1.8737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(trifluoromethyl)benzyl]urea. With a topological polar surface area (TPSA) of 55.12 Ų, N-[3-(trifluoromethyl)benzyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(trifluoromethyl)benzyl]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-[3-(trifluoromethyl)benzyl]urea?
The CAS number of N-[3-(trifluoromethyl)benzyl]urea is 296277-59-3.
What is the molecular formula of N-[3-(trifluoromethyl)benzyl]urea?
The molecular formula of N-[3-(trifluoromethyl)benzyl]urea is C9H9F3N2O.
What is the molecular weight of N-[3-(trifluoromethyl)benzyl]urea?
The molecular weight of N-[3-(trifluoromethyl)benzyl]urea is 218.07 g/mol.
Where can I buy N-[3-(trifluoromethyl)benzyl]urea?
You can request a quote for N-[3-(trifluoromethyl)benzyl]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-(trifluoromethyl)benzyl]urea?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(trifluoromethyl)benzyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.