1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine
TL;DR: 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine (CAS 80712-11-4) is a chemical compound with molecular formula C14H17F3N4O2 and molecular weight 330.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Also Known As: 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine, 1-Piperazinecarboxamide, N-((methylamino)carbonyl)-4-(3-(trifluoromethyl)phenyl)-, N-((Methylamino)carbonyl)-4-(3-(trifluoromethyl)phenyl)-1-piperazinecarboxamide, N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide, RefChem:233503
| Molecular Formula | C14H17F3N4O2 |
|---|---|
| Molecular Weight | 330.13 g/mol |
| LogP | 1.8764 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.13037 |
| Heavy Atoms | 23 |
| Complexity | 583.63025 |
Chemical Identifiers
| CAS Number | 80712-11-4 |
|---|---|
| SMILES | CNC(=O)NC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F |
Product Overview
1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine (CAS 80712-11-4), with molecular formula C14H17F3N4O2 and molecular weight 330.13 g/mol. IUPAC: N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
Chemical Property Profile of 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine
Property Insights of 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine
The XLogP value of 1.8764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine. The TPSA of 64.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine. Following Lipinski's Rule of Five, 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine has 2 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-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine?
The CAS number of 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine is 80712-11-4.
What is the molecular formula of 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine?
The molecular formula of 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine is C14H17F3N4O2.
What is the molecular weight of 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine?
The molecular weight of 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine is 330.13 g/mol.
Where can I buy 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine?
You can request a quote for 1-(4-Methylallophanoyl)-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-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.