1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride
TL;DR: 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride (CAS 80712-40-9) is a chemical compound with molecular formula C16H21Cl2F3N4O2 and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride
Also Known As: 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride, 1-(4-Chloro-3-trifluoromethylphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride, 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide hydrochloride, 4-[4-Chloro-3-(trifluoromethyl)phenyl]-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide--hydrogen chloride (1/1), RefChem:233463
| Molecular Formula | C16H21Cl2F3N4O2 |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 3.636 |
| Topological Polar Surface Area | 47.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 428.09937 |
| Heavy Atoms | 27 |
| Complexity | 692.7332 |
Chemical Identifiers
| CAS Number | 80712-40-9 |
|---|---|
| SMILES | CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)Cl)C(F)(F)F.Cl |
Product Overview
1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride (CAS 80712-40-9), with molecular formula C16H21Cl2F3N4O2 and molecular weight 428.10 g/mol. IUPAC: 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride.
Chemical Property Profile of 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride
Property Insights of 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride
The XLogP value of 3.636 indicates that 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.1 Ų, 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride has 0 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-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride?
The CAS number of 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride is 80712-40-9.
What is the molecular formula of 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride?
The molecular formula of 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride is C16H21Cl2F3N4O2.
What is the molecular weight of 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride?
The molecular weight of 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride is 428.10 g/mol.
Where can I buy 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride?
You can request a quote for 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.