1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine
TL;DR: 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine (CAS 80712-56-7) is a chemical compound with molecular formula C20H21F3N4O2 and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-(phenylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Also Known As: 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine, 1-Piperazinecarboxamide, N-methyl-N-((phenylamino)carbonyl)-4-(3-(trifluoromethyl)phenyl)-, N-Methyl-N-((phenylamino)carbonyl)-4-(3-(trifluoromethyl)phenyl)-1-piperazinecarboxamide, N-methyl-N-(phenylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide, RefChem:233519
| Molecular Formula | C20H21F3N4O2 |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 4.1113 |
| Topological Polar Surface Area | 55.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.16165 |
| Heavy Atoms | 29 |
| Complexity | 865.5301 |
Chemical Identifiers
| CAS Number | 80712-56-7 |
|---|---|
| SMILES | CN(C(=O)NC1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine (CAS 80712-56-7), with molecular formula C20H21F3N4O2 and molecular weight 406.16 g/mol. IUPAC: N-methyl-N-(phenylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
Chemical Property Profile of 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine
Property Insights of 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine
The XLogP value of 4.1113 indicates that 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.89 Ų, 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine?
The CAS number of 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine is 80712-56-7.
What is the molecular formula of 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine?
The molecular formula of 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine is C20H21F3N4O2.
What is the molecular weight of 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine?
The molecular weight of 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine is 406.16 g/mol.
Where can I buy 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine?
You can request a quote for 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methyl-4-phenylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.