2-(1-(4-Piperonyl)piperazinyl)benzothiazole
TL;DR: 2-(1-(4-Piperonyl)piperazinyl)benzothiazole (CAS 155106-73-3) is a chemical compound with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-benzothiazole
Also Known As: PPB benzothiazole, 2-Ppbt, VB 20B7, 2-[1-(4-PIPERONYL)PIPERAZINYL]BENZOTHIAZOLE, VB-20B7
| Molecular Formula | C19H19N3O2S |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.1198 |
| Heavy Atoms | 25 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 155106-73-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4 |
| InChIKey | BYHKGNWKJMGHGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-(4-Piperonyl)piperazinyl)benzothiazole (CAS 155106-73-3), with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-benzothiazole.
Chemical Property Profile of 2-(1-(4-Piperonyl)piperazinyl)benzothiazole
Property Insights of 2-(1-(4-Piperonyl)piperazinyl)benzothiazole
The XLogP value of 4.0 indicates that 2-(1-(4-Piperonyl)piperazinyl)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-(4-Piperonyl)piperazinyl)benzothiazole. Following Lipinski's Rule of Five, 2-(1-(4-Piperonyl)piperazinyl)benzothiazole has 0 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 2-(1-(4-Piperonyl)piperazinyl)benzothiazole?
The CAS number of 2-(1-(4-Piperonyl)piperazinyl)benzothiazole is 155106-73-3.
What is the molecular formula of 2-(1-(4-Piperonyl)piperazinyl)benzothiazole?
The molecular formula of 2-(1-(4-Piperonyl)piperazinyl)benzothiazole is C19H19N3O2S.
What is the molecular weight of 2-(1-(4-Piperonyl)piperazinyl)benzothiazole?
The molecular weight of 2-(1-(4-Piperonyl)piperazinyl)benzothiazole is 353.12 g/mol.
Where can I buy 2-(1-(4-Piperonyl)piperazinyl)benzothiazole?
You can request a quote for 2-(1-(4-Piperonyl)piperazinyl)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-(4-Piperonyl)piperazinyl)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-(4-Piperonyl)piperazinyl)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.