Lubeluzole
TL;DR: Lubeluzole (CAS 144665-07-6) is a chemical compound with molecular formula C22H25F2N3O2S and molecular weight 433.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-3-(3,4-difluorophenoxy)propan-2-ol
Also Known As: Lubeluzole, Prosynap, Lubeluzol, lubeluzolum, Lubeluzole [INN]
| Molecular Formula | C22H25F2N3O2S |
|---|---|
| Molecular Weight | 433.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.16354 |
| Heavy Atoms | 30 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 144665-07-6 |
|---|---|
| SMILES | CN(C1CCN(CC1)C[C@@H](COC2=CC(=C(C=C2)F)F)O)C3=NC4=CC=CC=C4S3 |
| InChIKey | OZFSWVOEXHGDES-INIZCTEOSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lubeluzole (CAS 144665-07-6), with molecular formula C22H25F2N3O2S and molecular weight 433.16 g/mol. IUPAC: (2S)-1-[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-3-(3,4-difluorophenoxy)propan-2-ol.
Chemical Property Profile of Lubeluzole
Property Insights of Lubeluzole
The XLogP value of 4.7 indicates that Lubeluzole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Lubeluzole. Following Lipinski's Rule of Five, Lubeluzole has 1 hydrogen bond donor(s) and 8 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 Lubeluzole?
The CAS number of Lubeluzole is 144665-07-6.
What is the molecular formula of Lubeluzole?
The molecular formula of Lubeluzole is C22H25F2N3O2S.
What is the molecular weight of Lubeluzole?
The molecular weight of Lubeluzole is 433.16 g/mol.
Where can I buy Lubeluzole?
You can request a quote for Lubeluzole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lubeluzole?
Yes, KEHONG BIO provides custom synthesis services for Lubeluzole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.