1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea
TL;DR: 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea (CAS 4674-72-0) is a chemical compound with molecular formula C9H8ClF3N2O and molecular weight 252.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylurea
Also Known As: 1-(2-CHLORO-5-TRIFLUOROMETHYLPHENYL)-3-METHYLUREA, 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-urea, 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylurea, 665-789-1, RefChem:421759
| Molecular Formula | C9H8ClF3N2O |
|---|---|
| Molecular Weight | 252.03 g/mol |
| LogP | 3.1101 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.02773 |
| Heavy Atoms | 16 |
| Complexity | 406.23083 |
Chemical Identifiers
| CAS Number | 4674-72-0 |
|---|---|
| SMILES | CNC(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl |
Product Overview
1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea (CAS 4674-72-0), with molecular formula C9H8ClF3N2O and molecular weight 252.03 g/mol. IUPAC: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylurea.
Chemical Property Profile of 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea
Property Insights of 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea
The XLogP value of 3.1101 indicates that 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea 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-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea?
The CAS number of 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea is 4674-72-0.
What is the molecular formula of 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea?
The molecular formula of 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea is C9H8ClF3N2O.
What is the molecular weight of 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea?
The molecular weight of 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea is 252.03 g/mol.
Where can I buy 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea?
You can request a quote for 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-5-trifluoromethylphenyl)-3-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.