N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea
TL;DR: N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea (CAS 1691-45-8) is a chemical compound with molecular formula C16H9F9N2O and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: J3.403.864C, 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea, 665-153-3
| Molecular Formula | C16H9F9N2O |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 6.387 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.05713 |
| Heavy Atoms | 28 |
| Complexity | 837.38934 |
Chemical Identifiers
| CAS Number | 1691-45-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F |
Product Overview
N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea (CAS 1691-45-8), with molecular formula C16H9F9N2O and molecular weight 416.06 g/mol. IUPAC: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea
Property Insights of N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea
The XLogP value of 6.387 indicates that N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)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, N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)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 N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea?
The CAS number of N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea is 1691-45-8.
What is the molecular formula of N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea?
The molecular formula of N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea is C16H9F9N2O.
What is the molecular weight of N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea?
The molecular weight of N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea is 416.06 g/mol.
Where can I buy N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea?
You can request a quote for N-(3,5-Bis(trifluoromethyl)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-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-Bis(trifluoromethyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.