RefChem:316923
TL;DR: RefChem:316923 (CAS 6761-64-4) is a chemical compound with molecular formula C21H24Cl2N2O5 and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone;dihydrochloride
Also Known As: 4-Piperonyl-1-piperonyloylmethylpiperazine dihydrochloride, Acetopiperone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride, Acetophenone, 3',4'-methylenedioxy-2-(4-piperonylpiperazin-1-yl)-, dihydrochloride, 3',4'-Methylenedioxy-2-(4-piperonyl-piperazin-1-yl)acetophenone dihydrochloride, Acetophenone, 3',4'-(methylenedioxy)-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride
| Molecular Formula | C21H24Cl2N2O5 |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 2.99 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.10623 |
| Heavy Atoms | 30 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 6761-64-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)C4=CC5=C(C=C4)OCO5.Cl.Cl |
| InChIKey | PXQBKWWLPDWJRU-UHFFFAOYSA-N |
Product Overview
RefChem:316923 (CAS 6761-64-4), with molecular formula C21H24Cl2N2O5 and molecular weight 454.11 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone;dihydrochloride.
Chemical Property Profile of RefChem:316923
Property Insights of RefChem:316923
The XLogP value of 2.99 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:316923. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316923. Following Lipinski's Rule of Five, RefChem:316923 has 2 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:316923?
The CAS number of RefChem:316923 is 6761-64-4.
What is the molecular formula of RefChem:316923?
The molecular formula of RefChem:316923 is C21H24Cl2N2O5.
What is the molecular weight of RefChem:316923?
The molecular weight of RefChem:316923 is 454.11 g/mol.
Where can I buy RefChem:316923?
You can request a quote for RefChem:316923 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316923?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.