Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride
TL;DR: Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride (CAS 76716-77-3) is a chemical compound with molecular formula C14H20ClF3N4O and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylurea;hydrochloride
Also Known As: Fluprazine hydrochloride, Cid 156958, Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride, 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylurea hydrochloride, N-(2-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}ethyl)urea--hydrogen chloride (1/1)
| Molecular Formula | C14H20ClF3N4O |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 1.9175 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.12778 |
| Heavy Atoms | 23 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 76716-77-3 |
|---|---|
| SMILES | C1CN(CCN1CCNC(=O)N)C2=CC=CC(=C2)C(F)(F)F.Cl |
| InChIKey | MVWXFPCZRUQFTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride (CAS 76716-77-3), with molecular formula C14H20ClF3N4O and molecular weight 352.13 g/mol. IUPAC: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylurea;hydrochloride.
Chemical Property Profile of Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride
Property Insights of Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride
The XLogP value of 1.9175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride. Following Lipinski's Rule of Five, Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride has 3 hydrogen bond donor(s) and 6 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 Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride?
The CAS number of Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride is 76716-77-3.
What is the molecular formula of Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride?
The molecular formula of Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride is C14H20ClF3N4O.
What is the molecular weight of Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride?
The molecular weight of Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride is 352.13 g/mol.
Where can I buy Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride?
You can request a quote for Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, (2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.