Haloperidol deriv.
TL;DR: Haloperidol deriv. (CAS 43141-37-3) is a chemical compound with molecular formula C21H21ClFNO2 and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)but-2-en-1-one
Also Known As: Haloperidol deriv., UCSF 191, (E)-4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)but-2-en-1-one, (E)-4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)but-2-en-1-one, (E)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)but-2-en-1-one
| Molecular Formula | C21H21ClFNO2 |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 4.2016 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.12448 |
| Heavy Atoms | 26 |
| Complexity | 778.6633 |
Chemical Identifiers
| CAS Number | 43141-37-3 |
|---|---|
| SMILES | C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C/C=C/C(=O)C3=CC=C(C=C3)F |
Product Overview
Haloperidol deriv. (CAS 43141-37-3), with molecular formula C21H21ClFNO2 and molecular weight 373.12 g/mol. IUPAC: (E)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)but-2-en-1-one.
Chemical Property Profile of Haloperidol deriv.
Property Insights of Haloperidol deriv.
The XLogP value of 4.2016 indicates that Haloperidol deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, Haloperidol deriv. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Haloperidol deriv. 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 Haloperidol deriv.?
The CAS number of Haloperidol deriv. is 43141-37-3.
What is the molecular formula of Haloperidol deriv.?
The molecular formula of Haloperidol deriv. is C21H21ClFNO2.
What is the molecular weight of Haloperidol deriv.?
The molecular weight of Haloperidol deriv. is 373.12 g/mol.
Where can I buy Haloperidol deriv.?
You can request a quote for Haloperidol deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Haloperidol deriv.?
Yes, KEHONG BIO provides custom synthesis services for Haloperidol deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.