1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea
TL;DR: 1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea (CAS 41779-77-5) is a chemical compound with molecular formula C17H17F3N2O and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 1-(4-ISOPROPYL-PHENYL)-3-(3-TRIFLUOROMETHYL-PHENYL)-UREA, 1-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]urea, 651-150-4, RefChem:425698
| Molecular Formula | C17H17F3N2O |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 5.4728 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.1293 |
| Heavy Atoms | 23 |
| Complexity | 678.983 |
Chemical Identifiers
| CAS Number | 41779-77-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea (CAS 41779-77-5), with molecular formula C17H17F3N2O and molecular weight 322.13 g/mol. IUPAC: 1-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea
Property Insights of 1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea
The XLogP value of 5.4728 indicates that 1-(4-Isopropyl-phenyl)-3-(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, 1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Isopropyl-phenyl)-3-(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 1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea?
The CAS number of 1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea is 41779-77-5.
What is the molecular formula of 1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea?
The molecular formula of 1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea is C17H17F3N2O.
What is the molecular weight of 1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea?
The molecular weight of 1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea is 322.13 g/mol.
Where can I buy 1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea?
You can request a quote for 1-(4-Isopropyl-phenyl)-3-(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 1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Isopropyl-phenyl)-3-(3-trifluoromethyl-phenyl)-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.