RefChem:316871
TL;DR: RefChem:316871 (CAS 63990-77-2) is a chemical compound with molecular formula C22H30Cl2N2O4 and molecular weight 456.16 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-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone;dihydrochloride
Also Known As: Acetophenone, 2'-((2-hydroxy-3-(4-(m-methoxyphenyl)piperazinyl))propoxy)-, dihydrochloride, 2'-((2-Hydroxy-3-(4-(m-methoxyphenyl)piperazinyl))propoxy)acetophenone dihydrochloride, 1-(2-{2-Hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy}phenyl)ethan-1-one--hydrogen chloride (1/2), 1-[2-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone dihydrochloride, Ethanone, 1-[2-[2-hydroxy-3-[4-(3-methoxyphenyl)-1-piperazinyl]propoxy]phenyl]-, dihydrochloride
| Molecular Formula | C22H30Cl2N2O4 |
|---|---|
| Molecular Weight | 456.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.15826 |
| Heavy Atoms | 30 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 63990-77-2 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC(=CC=C3)OC)O.Cl.Cl |
| InChIKey | MXWLYAJUZGDOGU-UHFFFAOYSA-N |
Product Overview
RefChem:316871 (CAS 63990-77-2), with molecular formula C22H30Cl2N2O4 and molecular weight 456.16 g/mol. IUPAC: 1-[2-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone;dihydrochloride.
Chemical Property Profile of RefChem:316871
Property Insights of RefChem:316871
The XLogP value of 3.3 indicates that RefChem:316871 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316871. Following Lipinski's Rule of Five, RefChem:316871 has 3 hydrogen bond donor(s) and 6 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:316871?
The CAS number of RefChem:316871 is 63990-77-2.
What is the molecular formula of RefChem:316871?
The molecular formula of RefChem:316871 is C22H30Cl2N2O4.
What is the molecular weight of RefChem:316871?
The molecular weight of RefChem:316871 is 456.16 g/mol.
Where can I buy RefChem:316871?
You can request a quote for RefChem:316871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316871?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.