RefChem:228844
TL;DR: RefChem:228844 (CAS 112446-95-4) is a chemical compound with molecular formula C26H32ClF3N2O and molecular weight 480.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-cyclopentylphenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one;hydrochloride
Also Known As: 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-, hydrochloride, 1-(4-Cyclopentylphenyl)-4-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-1-butanone HCl, 1-(4-cyclopentylphenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one hydrochloride, 1-(4-Cyclopentylphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butan-1-one--hydrogen chloride (1/1), RefChem:228844
| Molecular Formula | C26H32ClF3N2O |
|---|---|
| Molecular Weight | 480.22 g/mol |
| LogP | 6.5699 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.2155 |
| Heavy Atoms | 33 |
| Complexity | 902.49817 |
Chemical Identifiers
| CAS Number | 112446-95-4 |
|---|---|
| SMILES | C1CCC(C1)C2=CC=C(C=C2)C(=O)CCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F.Cl |
Product Overview
RefChem:228844 (CAS 112446-95-4), with molecular formula C26H32ClF3N2O and molecular weight 480.22 g/mol. IUPAC: 1-(4-cyclopentylphenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one;hydrochloride.
Chemical Property Profile of RefChem:228844
Property Insights of RefChem:228844
The XLogP value of 6.5699 indicates that RefChem:228844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, RefChem:228844 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228844 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:228844?
The CAS number of RefChem:228844 is 112446-95-4.
What is the molecular formula of RefChem:228844?
The molecular formula of RefChem:228844 is C26H32ClF3N2O.
What is the molecular weight of RefChem:228844?
The molecular weight of RefChem:228844 is 480.22 g/mol.
Where can I buy RefChem:228844?
You can request a quote for RefChem:228844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228844?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.