LJ 1121
TL;DR: LJ 1121 (CAS 67932-00-7) is a chemical compound with molecular formula C14H19BrF4N2O2 and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propane-1,2-diol;hydrobromide
Also Known As: 3-(4-(3-Trifluoromethyl-4-fluorophenyl)-piperazino)-propane-1,2-diol hydrobromide, 1,2-Propanediol, 3-(4-(4-fluoro-3-(trifluoromethyl)phenyl)-1-piperazinyl)-, monohydrobromide, 3-(4-(4-Fluoro-3-(trifluoromethyl)phenyl)-1-piperazinyl)-1,2-propanediol monohydrobromide, 3-(4-(4-fluoro-3-(trifluoromethyl)phenyl)piperazin-1-yl)propane-1,2-diol hydrobromide, 3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propane-1,2-diol;hydrobromide
| Molecular Formula | C14H19BrF4N2O2 |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 1.8976 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.0566 |
| Heavy Atoms | 23 |
| Complexity | 508.0409 |
Chemical Identifiers
| CAS Number | 67932-00-7 |
|---|---|
| SMILES | C1CN(CCN1CC(CO)O)C2=CC(=C(C=C2)F)C(F)(F)F.Br |
Product Overview
LJ 1121 (CAS 67932-00-7), with molecular formula C14H19BrF4N2O2 and molecular weight 402.06 g/mol. IUPAC: 3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propane-1,2-diol;hydrobromide.
Chemical Property Profile of LJ 1121
Property Insights of LJ 1121
The XLogP value of 1.8976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LJ 1121. With a topological polar surface area (TPSA) of 46.94 Ų, LJ 1121 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LJ 1121 has 2 hydrogen bond donor(s) and 4 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 1121?
The CAS number of LJ 1121 is 67932-00-7.
What is the molecular formula of LJ 1121?
The molecular formula of LJ 1121 is C14H19BrF4N2O2.
What is the molecular weight of LJ 1121?
The molecular weight of LJ 1121 is 402.06 g/mol.
Where can I buy LJ 1121?
You can request a quote for LJ 1121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LJ 1121?
Yes, KEHONG BIO provides custom synthesis services for LJ 1121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.