RefChem:336030
TL;DR: RefChem:336030 (CAS 67931-91-3) is a chemical compound with molecular formula C17H22BrF3N2O and molecular weight 406.09 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]methyl]cyclopentan-1-one;hydrobromide
Also Known As: LJ 1160, 2-(4-(m-Trifluoromethylphenyl)piperazino)methyl-cyclopentanone hydrobromide, 2-((4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)methyl)cyclopentanone monohydrobromide, Cyclopentanone, 2-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-, monohydrobromide, 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclopentan-1-one hydrobromide
| Molecular Formula | C17H22BrF3N2O |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 3.7745 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.08676 |
| Heavy Atoms | 24 |
| Complexity | 571.1992 |
Chemical Identifiers
| CAS Number | 67931-91-3 |
|---|---|
| SMILES | C1CC(C(=O)C1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F.Br |
Product Overview
RefChem:336030 (CAS 67931-91-3), with molecular formula C17H22BrF3N2O and molecular weight 406.09 g/mol. IUPAC: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclopentan-1-one;hydrobromide.
Chemical Property Profile of RefChem:336030
Property Insights of RefChem:336030
The XLogP value of 3.7745 indicates that RefChem:336030 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, RefChem:336030 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:336030 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 RefChem:336030?
The CAS number of RefChem:336030 is 67931-91-3.
What is the molecular formula of RefChem:336030?
The molecular formula of RefChem:336030 is C17H22BrF3N2O.
What is the molecular weight of RefChem:336030?
The molecular weight of RefChem:336030 is 406.09 g/mol.
Where can I buy RefChem:336030?
You can request a quote for RefChem:336030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336030?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.