1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea
TL;DR: 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea (CAS 3824-74-6) is a chemical compound with molecular formula C17H8F12N2O and molecular weight 484.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[3,5-bis(trifluoromethyl)phenyl]urea
Also Known As: Schreiner's Catalyst, 1,3-bis[3,5-bis(trifluoromethyl)phenyl]urea, Schindler's Catalyst, Biarylamide derivative, 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea
| Molecular Formula | C17H8F12N2O |
|---|---|
| Molecular Weight | 484.04 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 2 |
| Exact Mass | 484.0445 |
| Heavy Atoms | 32 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 3824-74-6 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F |
| InChIKey | YGCOMBKZFUMALE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea (CAS 3824-74-6), with molecular formula C17H8F12N2O and molecular weight 484.04 g/mol. IUPAC: 1,3-bis[3,5-bis(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea
Property Insights of 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea
The XLogP value of 6.0 indicates that 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea?
The CAS number of 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea is 3824-74-6.
What is the molecular formula of 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea?
The molecular formula of 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea is C17H8F12N2O.
What is the molecular weight of 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea?
The molecular weight of 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea is 484.04 g/mol.
Where can I buy 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea?
You can request a quote for 1,3-Bis(3,5-bis(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 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.