RefChem:228930
TL;DR: RefChem:228930 (CAS 4204-24-4) is a chemical compound with molecular formula C22H28Cl3FN2O2 and molecular weight 476.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;dihydrochloride
Also Known As: 1-Butanone, 4-(4-(2-(4-chlorophenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride, 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one dihydrochloride, 4-{4-[2-(4-Chlorophenoxy)ethyl]piperazin-1-yl}-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/2), RefChem:228930
| Molecular Formula | C22H28Cl3FN2O2 |
|---|---|
| Molecular Weight | 476.12 g/mol |
| LogP | 4.9822 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.12003 |
| Heavy Atoms | 30 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 4204-24-4 |
|---|---|
| SMILES | C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CCOC3=CC=C(C=C3)Cl.Cl.Cl |
| InChIKey | UNDWSKMTFBEWED-UHFFFAOYSA-N |
Product Overview
RefChem:228930 (CAS 4204-24-4), with molecular formula C22H28Cl3FN2O2 and molecular weight 476.12 g/mol. IUPAC: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;dihydrochloride.
Chemical Property Profile of RefChem:228930
Property Insights of RefChem:228930
The XLogP value of 4.9822 indicates that RefChem:228930 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, RefChem:228930 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228930 has 2 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 RefChem:228930?
The CAS number of RefChem:228930 is 4204-24-4.
What is the molecular formula of RefChem:228930?
The molecular formula of RefChem:228930 is C22H28Cl3FN2O2.
What is the molecular weight of RefChem:228930?
The molecular weight of RefChem:228930 is 476.12 g/mol.
Where can I buy RefChem:228930?
You can request a quote for RefChem:228930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228930?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.