1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea
TL;DR: 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea (CAS 685506-53-0) is a chemical compound with molecular formula C14H9BrF4N2O and molecular weight 375.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
Also Known As: Cyto4C6, A1-92098, 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea, 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
| Molecular Formula | C14H9BrF4N2O |
|---|---|
| Molecular Weight | 375.98 g/mol |
| LogP | 5.251 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.98343 |
| Heavy Atoms | 22 |
| Complexity | 686.2325 |
Chemical Identifiers
| CAS Number | 685506-53-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)F |
Product Overview
1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea (CAS 685506-53-0), with molecular formula C14H9BrF4N2O and molecular weight 375.98 g/mol. IUPAC: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea.
Chemical Property Profile of 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea
Property Insights of 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea
The XLogP value of 5.251 indicates that 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea 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-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea?
The CAS number of 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea is 685506-53-0.
What is the molecular formula of 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea?
The molecular formula of 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea is C14H9BrF4N2O.
What is the molecular weight of 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea?
The molecular weight of 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea is 375.98 g/mol.
Where can I buy 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea?
You can request a quote for 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.