RefChem:316933
TL;DR: RefChem:316933 (CAS 63990-71-6) is a chemical compound with molecular formula C23H32Cl2N2O5 and molecular weight 486.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone;dihydrochloride
Also Known As: Acetophenone, 3'-((3-(4-(3,4-dimethoxyphenyl)piperazinyl)-2-hydroxy)propoxy)-, dihydrochloride, 1-(3-{3-[4-(3,4-Dimethoxyphenyl)piperazin-1-yl]-2-hydroxypropoxy}phenyl)ethan-1-one--hydrogen chloride (1/2), 1-[3-[3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone dihydrochloride, Ethanone, 1-[3-[3-[4-(3,4-dimethoxyphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-, dihydrochloride, RefChem:316933
| Molecular Formula | C23H32Cl2N2O5 |
|---|---|
| Molecular Weight | 486.17 g/mol |
| LogP | 3.31 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 486.16882 |
| Heavy Atoms | 32 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 63990-71-6 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC(=C(C=C3)OC)OC)O.Cl.Cl |
| InChIKey | IRUXAEDBQBZIGG-UHFFFAOYSA-N |
Product Overview
RefChem:316933 (CAS 63990-71-6), with molecular formula C23H32Cl2N2O5 and molecular weight 486.17 g/mol. IUPAC: 1-[3-[3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone;dihydrochloride.
Chemical Property Profile of RefChem:316933
Property Insights of RefChem:316933
The XLogP value of 3.31 indicates that RefChem:316933 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316933. Following Lipinski's Rule of Five, RefChem:316933 has 3 hydrogen bond donor(s) and 7 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:316933?
The CAS number of RefChem:316933 is 63990-71-6.
What is the molecular formula of RefChem:316933?
The molecular formula of RefChem:316933 is C23H32Cl2N2O5.
What is the molecular weight of RefChem:316933?
The molecular weight of RefChem:316933 is 486.17 g/mol.
Where can I buy RefChem:316933?
You can request a quote for RefChem:316933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316933?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.