![N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea structure](/static/products/3391/339111-24-9.webp)
N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea
TL;DR: N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea (CAS 339111-24-9) is a chemical compound with molecular formula C16H14F3N3O3 and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2-nitroethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: Bionet1_002361, 1-[2-(2-nitroethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea, 9J-013, N-(2-(2-Nitroethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea
| Molecular Formula | C16H14F3N3O3 |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 4.1686 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.09872 |
| Heavy Atoms | 25 |
| Complexity | 778.4605 |
Chemical Identifiers
| CAS Number | 339111-24-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC[N+](=O)[O-])NC(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea (CAS 339111-24-9), with molecular formula C16H14F3N3O3 and molecular weight 353.10 g/mol. IUPAC: 1-[2-(2-nitroethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea
Property Insights of N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea
The XLogP value of 4.1686 indicates that N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]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 N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea. Following Lipinski's Rule of Five, N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]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 N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea?
The CAS number of N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea is 339111-24-9.
What is the molecular formula of N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea?
The molecular formula of N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea is C16H14F3N3O3.
What is the molecular weight of N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea?
The molecular weight of N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea is 353.10 g/mol.
Where can I buy N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea?
You can request a quote for N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(2-nitroethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.