1-Methyl-3-(2-trifluoromethylphenyl)urea
TL;DR: 1-Methyl-3-(2-trifluoromethylphenyl)urea (CAS 39804-88-1) 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.
1-methyl-3-[2-(trifluoromethyl)phenyl]urea
Also Known As: 1-methyl-3-[2-(trifluoromethyl)phenyl]urea, 3-methyl-1-[2-(trifluoromethyl)phenyl]urea, 1-Methyl-3-(2-trifluoromethylphenyl)urea, N-methyl-N'-[2-(trifluoromethyl)phenyl]urea, 666-460-5
| Molecular Formula | C9H9F3N2O |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 2.4567 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0667 |
| Heavy Atoms | 15 |
| Complexity | 362.62024 |
Chemical Identifiers
| CAS Number | 39804-88-1 |
|---|---|
| SMILES | CNC(=O)NC1=CC=CC=C1C(F)(F)F |
Product Overview
1-Methyl-3-(2-trifluoromethylphenyl)urea (CAS 39804-88-1), with molecular formula C9H9F3N2O and molecular weight 218.07 g/mol. IUPAC: 1-methyl-3-[2-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-Methyl-3-(2-trifluoromethylphenyl)urea
Property Insights of 1-Methyl-3-(2-trifluoromethylphenyl)urea
The XLogP value of 2.4567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-(2-trifluoromethylphenyl)urea. With a topological polar surface area (TPSA) of 41.13 Ų, 1-Methyl-3-(2-trifluoromethylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-(2-trifluoromethylphenyl)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 1-Methyl-3-(2-trifluoromethylphenyl)urea?
The CAS number of 1-Methyl-3-(2-trifluoromethylphenyl)urea is 39804-88-1.
What is the molecular formula of 1-Methyl-3-(2-trifluoromethylphenyl)urea?
The molecular formula of 1-Methyl-3-(2-trifluoromethylphenyl)urea is C9H9F3N2O.
What is the molecular weight of 1-Methyl-3-(2-trifluoromethylphenyl)urea?
The molecular weight of 1-Methyl-3-(2-trifluoromethylphenyl)urea is 218.07 g/mol.
Where can I buy 1-Methyl-3-(2-trifluoromethylphenyl)urea?
You can request a quote for 1-Methyl-3-(2-trifluoromethylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-(2-trifluoromethylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-(2-trifluoromethylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.