1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine
TL;DR: 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine (CAS 80712-39-6) is a chemical compound with molecular formula C16H21F3N4O3 and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(dimethylcarbamoyl)-4-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylpiperazine-1-carboxamide
Also Known As: 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine, 1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-4-(4-hydroxy-3-(trifluoromethyl)phenyl)-N-methyl-, N-(dimethylcarbamoyl)-4-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylpiperazine-1-carboxamide, RefChem:233488
| Molecular Formula | C16H21F3N4O3 |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 2.2664 |
| Topological Polar Surface Area | 67.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.1566 |
| Heavy Atoms | 26 |
| Complexity | 685.8078 |
Chemical Identifiers
| CAS Number | 80712-39-6 |
|---|---|
| SMILES | CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)O)C(F)(F)F |
Product Overview
1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine (CAS 80712-39-6), with molecular formula C16H21F3N4O3 and molecular weight 374.16 g/mol. IUPAC: N-(dimethylcarbamoyl)-4-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylpiperazine-1-carboxamide.
Chemical Property Profile of 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine
Property Insights of 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine
The XLogP value of 2.2664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine. The TPSA of 67.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine. Following Lipinski's Rule of Five, 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine has 1 hydrogen bond donor(s) and 4 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-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine?
The CAS number of 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine is 80712-39-6.
What is the molecular formula of 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine?
The molecular formula of 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine is C16H21F3N4O3.
What is the molecular weight of 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine?
The molecular weight of 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine is 374.16 g/mol.
Where can I buy 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine?
You can request a quote for 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Trifluoromethyl-4-hydroxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.