1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea)
TL;DR: 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea) (CAS 329765-22-2) is a chemical compound with molecular formula C21H17F3N4O2 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-[3-(phenylcarbamoylamino)-5-(trifluoromethyl)phenyl]urea
Also Known As: 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea), 1-phenyl-3-[3-(phenylcarbamoylamino)-5-(trifluoromethyl)phenyl]urea
| Molecular Formula | C21H17F3N4O2 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 5.9934 |
| Topological Polar Surface Area | 82.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.13037 |
| Heavy Atoms | 30 |
| Complexity | 951.6764 |
Chemical Identifiers
| CAS Number | 329765-22-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)NC(=O)NC3=CC=CC=C3 |
Product Overview
1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea) (CAS 329765-22-2), with molecular formula C21H17F3N4O2 and molecular weight 414.13 g/mol. IUPAC: 1-phenyl-3-[3-(phenylcarbamoylamino)-5-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea)
Property Insights of 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea)
The XLogP value of 5.9934 indicates that 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea). Following Lipinski's Rule of Five, 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea) has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea)?
The CAS number of 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea) is 329765-22-2.
What is the molecular formula of 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea)?
The molecular formula of 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea) is C21H17F3N4O2.
What is the molecular weight of 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea)?
The molecular weight of 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea) is 414.13 g/mol.
Where can I buy 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea)?
You can request a quote for 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(5-(Trifluoromethyl)-1,3-phenylene)bis(3-phenylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.