Cinuperone
TL;DR: Cinuperone (CAS 86756-31-2) is a chemical compound with molecular formula C23H24FN3O and molecular weight 377.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(4-isoquinolin-3-ylpiperazin-1-yl)butan-1-one
Also Known As: Cinuperone, Cinuperonum, cinuperona, Cinuperone [INN], Bromo(triphenylphosphine)gold(I)
| Molecular Formula | C23H24FN3O |
|---|---|
| Molecular Weight | 377.19 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 36.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.19034 |
| Heavy Atoms | 28 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 86756-31-2 |
|---|---|
| SMILES | C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC4=CC=CC=C4C=N3 |
| InChIKey | YLCFZLMWTUMGKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cinuperone (CAS 86756-31-2), with molecular formula C23H24FN3O and molecular weight 377.19 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(4-isoquinolin-3-ylpiperazin-1-yl)butan-1-one.
Chemical Property Profile of Cinuperone
Property Insights of Cinuperone
The XLogP value of 4.5 indicates that Cinuperone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.4 Ų, Cinuperone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinuperone has 0 hydrogen bond donor(s) and 5 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 Cinuperone?
The CAS number of Cinuperone is 86756-31-2.
What is the molecular formula of Cinuperone?
The molecular formula of Cinuperone is C23H24FN3O.
What is the molecular weight of Cinuperone?
The molecular weight of Cinuperone is 377.19 g/mol.
Where can I buy Cinuperone?
You can request a quote for Cinuperone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinuperone?
Yes, KEHONG BIO provides custom synthesis services for Cinuperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.