![3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione] structure](/static/products/7070/70705-22-5.webp)
3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione]
TL;DR: 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione] (CAS 70705-22-5) is a chemical compound with molecular formula C24H22N6O6S2 and molecular weight 554.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-3-[[4-[[5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione
Also Known As: 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione], 5-(1,3-benzodioxol-5-yl)-3-[[4-[[5-(1,3-benzodioxol-5-yl)-2-, 5-(1,3-benzodioxol-5-yl)-3-[[4-[[5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione
| Molecular Formula | C24H22N6O6S2 |
|---|---|
| Molecular Weight | 554.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 554.10425 |
| Heavy Atoms | 38 |
| Complexity | 931.0 |
Chemical Identifiers
| CAS Number | 70705-22-5 |
|---|---|
| SMILES | C1CN(CCN1CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4)CN5C(=S)OC(=N5)C6=CC7=C(C=C6)OCO7 |
| InChIKey | AWOXJSRZXWAGRS-UHFFFAOYSA-N |
Product Overview
3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione] (CAS 70705-22-5), with molecular formula C24H22N6O6S2 and molecular weight 554.10 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-3-[[4-[[5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione]
Property Insights of 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione]
The XLogP value of 3.9 indicates that 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione] has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione]?
The CAS number of 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione] is 70705-22-5.
What is the molecular formula of 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione]?
The molecular formula of 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione] is C24H22N6O6S2.
What is the molecular weight of 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione]?
The molecular weight of 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione] is 554.10 g/mol.
Where can I buy 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione]?
You can request a quote for 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione]?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.