氟哌啶醇
TL;DR: 氟哌啶醇 (CAS 52-86-8) is a chemical compound with molecular formula C21H23ClFNO2 and molecular weight 375.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟哌啶醇
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Also Known As: haloperidol, Serenace, Haldol, Aloperidin, Serenelfi
| Molecular Formula | C21H23ClFNO2 |
|---|---|
| Molecular Weight | 375.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.14014 |
| Heavy Atoms | 26 |
| Complexity | 451.0 |
| Melting Point | 148 |
| Solubility | 14 |
| Vapor Pressure | 4.8X10-11 mm Hg @ 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 52-86-8 |
|---|---|
| SMILES | C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F |
| InChIKey | LNEPOXFFQSENCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟哌啶醇 (CAS 52-86-8), with molecular formula C21H23ClFNO2 and molecular weight 375.14 g/mol. IUPAC: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one.
Chemical Property Profile of 氟哌啶醇
Property Insights of 氟哌啶醇
The XLogP value of 3.2 indicates that 氟哌啶醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 氟哌啶醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氟哌啶醇 has 1 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 氟哌啶醇?
The CAS number of 氟哌啶醇 is 52-86-8.
What is the molecular formula of 氟哌啶醇?
The molecular formula of 氟哌啶醇 is C21H23ClFNO2.
What is the molecular weight of 氟哌啶醇?
The molecular weight of 氟哌啶醇 is 375.14 g/mol.
Where can I buy 氟哌啶醇?
You can request a quote for 氟哌啶醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟哌啶醇?
Yes, KEHONG BIO provides custom synthesis services for 氟哌啶醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.