(4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen
TL;DR: (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen (CAS 72730-91-7) is a chemical compound with molecular formula C17H12ClF3N4O and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazol-3-one
Also Known As: (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen, (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phenyl]hydrazono]pyrazol-3-one, 2-(4-Chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazol-3-one, 2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]pyrazol-3-one, (4E)-1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-4,5-dione 4-{[3-(trifluoromethyl)phenyl]hydrazone}
| Molecular Formula | C17H12ClF3N4O |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.0652 |
| Heavy Atoms | 26 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 72730-91-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)N=NC3=CC=CC(=C3)C(F)(F)F |
| InChIKey | ZOUFEFCCEYFQBK-UHFFFAOYSA-N |
Product Overview
(4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen (CAS 72730-91-7), with molecular formula C17H12ClF3N4O and molecular weight 380.07 g/mol. IUPAC: 2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen
Property Insights of (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen
The XLogP value of 5.3 indicates that (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.1 Ų, (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen?
The CAS number of (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen is 72730-91-7.
What is the molecular formula of (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen?
The molecular formula of (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen is C17H12ClF3N4O.
What is the molecular weight of (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen?
The molecular weight of (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen is 380.07 g/mol.
Where can I buy (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen?
You can request a quote for (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.