RefChem:228929
TL;DR: RefChem:228929 (CAS 53566-95-3) is a chemical compound with molecular formula C23H30Cl3FN2O2 and molecular weight 490.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-(4-chloro-2-methylphenoxy)ethyl]piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;dihydrochloride
Also Known As: 1-Butanone, 4-(4-(2-(4-chloro-2-methylphenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride, 4-[4-[2-(4-chloro-2-methylphenoxy)ethyl]piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one dihydrochloride, 4-{4-[2-(4-Chloro-2-methylphenoxy)ethyl]piperazin-1-yl}-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/2), RefChem:228929
| Molecular Formula | C23H30Cl3FN2O2 |
|---|---|
| Molecular Weight | 490.14 g/mol |
| LogP | 5.29062 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.13568 |
| Heavy Atoms | 31 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 53566-95-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCCN2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F.Cl.Cl |
| InChIKey | POOGEETUOKYQOK-UHFFFAOYSA-N |
Product Overview
RefChem:228929 (CAS 53566-95-3), with molecular formula C23H30Cl3FN2O2 and molecular weight 490.14 g/mol. IUPAC: 4-[4-[2-(4-chloro-2-methylphenoxy)ethyl]piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;dihydrochloride.
Chemical Property Profile of RefChem:228929
Property Insights of RefChem:228929
The XLogP value of 5.29062 indicates that RefChem:228929 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:228929 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228929 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:228929?
The CAS number of RefChem:228929 is 53566-95-3.
What is the molecular formula of RefChem:228929?
The molecular formula of RefChem:228929 is C23H30Cl3FN2O2.
What is the molecular weight of RefChem:228929?
The molecular weight of RefChem:228929 is 490.14 g/mol.
Where can I buy RefChem:228929?
You can request a quote for RefChem:228929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228929?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.