3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione
TL;DR: 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione (CAS 131540-88-0) is a chemical compound with molecular formula C11H13N3O2S and molecular weight 251.07285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-piperazin-1-yl-1,2-benzothiazole 1,1-dioxide
Also Known As: Ziprasidone (m1), Bitp-SO2, BITP-SULFONE, Ziprasidone impurity 47, 1,2-Benzisothiazole, 3-(1-piperazinyl)-, 1,1-dioxide
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13N3O2S |
| Molecular Weight | 251.07285 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.07285 Da |
| Heavy Atoms | 17 |
| Complexity | 420.0 |
| SMILES | C1CN(CCN1)C2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | JPBXIPJNXUMSSQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione
Property Insights of 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione
The XLogP value of -0.3 indicates that 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione. Following Lipinski's Rule of Five, 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione?
The CAS number of 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione is 131540-88-0.
What is the molecular formula of 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione?
The molecular formula of 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione is C11H13N3O2S.
What is the molecular weight of 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione?
The molecular weight of 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione is 251.07285 g/mol.
Where can I buy 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione?
You can request a quote for 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione?
Yes, CoreyChem provides custom synthesis services for 3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.