RefChem:316925
TL;DR: RefChem:316925 (CAS 63990-54-5) is a chemical compound with molecular formula C22H27Cl2F3N2O3 and molecular weight 494.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]ethanone;dihydrochloride
Also Known As: Acetophenone, 3'-((2-hydroxy-3-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazinyl))propoxy)-, dihydrochloride, 1-[3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]ethanone dihydrochloride, ACETOPHENONE, 3'-((2-HYDROXY-3-(4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)PIPERAZIN, 1-[3-(2-Hydroxy-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propoxy)phenyl]ethan-1-one--hydrogen chloride (1/2), Ethanone, 1-[3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propoxy]phenyl]-, dihydrochloride
| Molecular Formula | C22H27Cl2F3N2O3 |
|---|---|
| Molecular Weight | 494.14 g/mol |
| LogP | 4.31 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.13507 |
| Heavy Atoms | 32 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 63990-54-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O.Cl.Cl |
| InChIKey | UOCAPIHAVVORKH-UHFFFAOYSA-N |
Product Overview
RefChem:316925 (CAS 63990-54-5), with molecular formula C22H27Cl2F3N2O3 and molecular weight 494.14 g/mol. IUPAC: 1-[3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]ethanone;dihydrochloride.
Chemical Property Profile of RefChem:316925
Property Insights of RefChem:316925
The XLogP value of 4.31 indicates that RefChem:316925 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:316925 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:316925 has 3 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:316925?
The CAS number of RefChem:316925 is 63990-54-5.
What is the molecular formula of RefChem:316925?
The molecular formula of RefChem:316925 is C22H27Cl2F3N2O3.
What is the molecular weight of RefChem:316925?
The molecular weight of RefChem:316925 is 494.14 g/mol.
Where can I buy RefChem:316925?
You can request a quote for RefChem:316925 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316925?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316925 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.