LJ 1176
TL;DR: LJ 1176 (CAS 67931-95-7) is a chemical compound with molecular formula C19H26BrF3N2O and molecular weight 434.12 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]cycloheptan-1-one;hydrobromide
Also Known As: LJ 1176, 2-(4-(m-Trifluoromethylphenyl)piperazino)methyl-cycloheptanone hydrobromide, 2-((4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)methyl)cycloheptanone monohydrobromide, Cycloheptanone, 2-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-, monohydrobromide, 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cycloheptan-1-one hydrobromide
| Molecular Formula | C19H26BrF3N2O |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 4.5547 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.11807 |
| Heavy Atoms | 26 |
| Complexity | 600.6922 |
Chemical Identifiers
| CAS Number | 67931-95-7 |
|---|---|
| SMILES | C1CCC(C(=O)CC1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F.Br |
Product Overview
LJ 1176 (CAS 67931-95-7), with molecular formula C19H26BrF3N2O and molecular weight 434.12 g/mol. IUPAC: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cycloheptan-1-one;hydrobromide.
Chemical Property Profile of LJ 1176
Property Insights of LJ 1176
The XLogP value of 4.5547 indicates that LJ 1176 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 1176 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LJ 1176 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 1176?
The CAS number of LJ 1176 is 67931-95-7.
What is the molecular formula of LJ 1176?
The molecular formula of LJ 1176 is C19H26BrF3N2O.
What is the molecular weight of LJ 1176?
The molecular weight of LJ 1176 is 434.12 g/mol.
Where can I buy LJ 1176?
You can request a quote for LJ 1176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LJ 1176?
Yes, KEHONG BIO provides custom synthesis services for LJ 1176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.