RefChem:1075895
TL;DR: RefChem:1075895 (CAS 63990-53-4) is a chemical compound with molecular formula C22H25F3N2O3 and molecular weight 422.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]ethanone
Also Known As: Acetophenone, 2'-((2-hydroxy-3-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazinyl))propoxy)-, 1-[2-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]ethanone, 2'-[2-Hydroxy-3-[4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazino]propoxy]acetophenone, Ethanone, 1-[2-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propoxy]phenyl]-, 1-[2-(2-hydroxy-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propoxy)phenyl]ethan-1-one
| Molecular Formula | C22H25F3N2O3 |
|---|---|
| Molecular Weight | 422.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.18173 |
| Heavy Atoms | 30 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 63990-53-4 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O |
| InChIKey | DWTDGCXSUCRGEH-UHFFFAOYSA-N |
Product Overview
RefChem:1075895 (CAS 63990-53-4), with molecular formula C22H25F3N2O3 and molecular weight 422.18 g/mol. IUPAC: 1-[2-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]ethanone.
Chemical Property Profile of RefChem:1075895
Property Insights of RefChem:1075895
The XLogP value of 3.5 indicates that RefChem:1075895 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, RefChem:1075895 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075895 has 1 hydrogen bond donor(s) and 8 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:1075895?
The CAS number of RefChem:1075895 is 63990-53-4.
What is the molecular formula of RefChem:1075895?
The molecular formula of RefChem:1075895 is C22H25F3N2O3.
What is the molecular weight of RefChem:1075895?
The molecular weight of RefChem:1075895 is 422.18 g/mol.
Where can I buy RefChem:1075895?
You can request a quote for RefChem:1075895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075895?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.