1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea
TL;DR: 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea (CAS 701289-57-8) is a chemical compound with molecular formula C13H9BrFN3O3 and molecular weight 352.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea
Also Known As: 1-(4-bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea, N-(4-bromo-2-fluorophenyl)[(4-nitrophenyl)amino]carboxamide
| Molecular Formula | C13H9BrFN3O3 |
|---|---|
| Molecular Weight | 352.98 g/mol |
| LogP | 4.1404 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.98114 |
| Heavy Atoms | 21 |
| Complexity | 691.56085 |
Chemical Identifiers
| CAS Number | 701289-57-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NC2=C(C=C(C=C2)Br)F)[N+](=O)[O-] |
Product Overview
1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea (CAS 701289-57-8), with molecular formula C13H9BrFN3O3 and molecular weight 352.98 g/mol. IUPAC: 1-(4-bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea.
Chemical Property Profile of 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea
Property Insights of 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea
The XLogP value of 4.1404 indicates that 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea. Following Lipinski's Rule of Five, 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea has 2 hydrogen bond donor(s) and 3 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-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea?
The CAS number of 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea is 701289-57-8.
What is the molecular formula of 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea?
The molecular formula of 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea is C13H9BrFN3O3.
What is the molecular weight of 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea?
The molecular weight of 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea is 352.98 g/mol.
Where can I buy 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea?
You can request a quote for 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)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-2-fluorophenyl)-3-(4-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromo-2-fluorophenyl)-3-(4-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.