Chlorohaloperidol
TL;DR: Chlorohaloperidol (CAS 59995-68-5) is a chemical compound with molecular formula C21H23Cl2NO2 and molecular weight 391.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
Also Known As: Chlorohaloperidol, haloperidol, HALOPERIDOL CHLORINATED ANALOG, 1-(4-chlorophenyl)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one, 1-(3-(4-Chlorobenzoyl)propyl)-4-hydroxy-4-(4-chlorophenyl)piperidine
| Molecular Formula | C21H23Cl2NO2 |
|---|---|
| Molecular Weight | 391.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.1106 |
| Heavy Atoms | 26 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 59995-68-5 |
|---|---|
| SMILES | C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | QETRGFJTEVVJTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorohaloperidol (CAS 59995-68-5), with molecular formula C21H23Cl2NO2 and molecular weight 391.11 g/mol. IUPAC: 1-(4-chlorophenyl)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one.
Chemical Property Profile of Chlorohaloperidol
Property Insights of Chlorohaloperidol
The XLogP value of 3.8 indicates that Chlorohaloperidol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Chlorohaloperidol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorohaloperidol has 1 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 Chlorohaloperidol?
The CAS number of Chlorohaloperidol is 59995-68-5.
What is the molecular formula of Chlorohaloperidol?
The molecular formula of Chlorohaloperidol is C21H23Cl2NO2.
What is the molecular weight of Chlorohaloperidol?
The molecular weight of Chlorohaloperidol is 391.11 g/mol.
Where can I buy Chlorohaloperidol?
You can request a quote for Chlorohaloperidol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorohaloperidol?
Yes, KEHONG BIO provides custom synthesis services for Chlorohaloperidol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.