LJ 1196
TL;DR: LJ 1196 (CAS 67931-97-9) is a chemical compound with molecular formula C18H23BrF4N2O and molecular weight 438.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-one;hydrobromide
Also Known As: LJ 1196, 2-(4-(3-Trifluoromethyl-4-fluorophenyl)piperazino)methyl-cyclohexanone hydrobromide, Cyclohexanone, 2-((4-(4-fluoro-3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-, monohydrobromide, 2-({4-[4-Fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)cyclohexan-1-one--hydrogen bromide (1/1), 2-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-one hydrobromide
| Molecular Formula | C18H23BrF4N2O |
|---|---|
| Molecular Weight | 438.09 g/mol |
| LogP | 4.3037 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.093 |
| Heavy Atoms | 26 |
| Complexity | 630.10736 |
Chemical Identifiers
| CAS Number | 67931-97-9 |
|---|---|
| SMILES | C1CCC(=O)C(C1)CN2CCN(CC2)C3=CC(=C(C=C3)F)C(F)(F)F.Br |
Product Overview
LJ 1196 (CAS 67931-97-9), with molecular formula C18H23BrF4N2O and molecular weight 438.09 g/mol. IUPAC: 2-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-one;hydrobromide.
Chemical Property Profile of LJ 1196
Property Insights of LJ 1196
The XLogP value of 4.3037 indicates that LJ 1196 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, LJ 1196 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LJ 1196 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 LJ 1196?
The CAS number of LJ 1196 is 67931-97-9.
What is the molecular formula of LJ 1196?
The molecular formula of LJ 1196 is C18H23BrF4N2O.
What is the molecular weight of LJ 1196?
The molecular weight of LJ 1196 is 438.09 g/mol.
Where can I buy LJ 1196?
You can request a quote for LJ 1196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LJ 1196?
Yes, KEHONG BIO provides custom synthesis services for LJ 1196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.