3-(1-Piperazinyl)-1,2-benzisothiazole
TL;DR: 3-(1-Piperazinyl)-1,2-benzisothiazole (CAS 201849-15-2) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-piperazin-1-yl-1,2-benzothiazole
Also Known As: 3-(1-Piperazinyl)-1,2-benzisothiazole, 3-(piperazin-1-yl)benzo[d]isothiazole, BITP, Ziprasidone EP Impurity A, 3-Piperazin-1-yl-benzo[d]isothiazole
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 1.7059 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 459.5559 |
Chemical Identifiers
| CAS Number | 201849-15-2 |
|---|---|
| SMILES | C1CN(CCN1)C2=NSC3=CC=CC=C32 |
Product Overview
3-(1-Piperazinyl)-1,2-benzisothiazole (CAS 201849-15-2), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: 3-piperazin-1-yl-1,2-benzothiazole.
Chemical Property Profile of 3-(1-Piperazinyl)-1,2-benzisothiazole
Property Insights of 3-(1-Piperazinyl)-1,2-benzisothiazole
The XLogP value of 1.7059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Piperazinyl)-1,2-benzisothiazole. With a topological polar surface area (TPSA) of 28.16 Ų, 3-(1-Piperazinyl)-1,2-benzisothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Piperazinyl)-1,2-benzisothiazole 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
Frequently Asked Questions
What is the CAS number of 3-(1-Piperazinyl)-1,2-benzisothiazole?
The CAS number of 3-(1-Piperazinyl)-1,2-benzisothiazole is 201849-15-2.
What is the molecular formula of 3-(1-Piperazinyl)-1,2-benzisothiazole?
The molecular formula of 3-(1-Piperazinyl)-1,2-benzisothiazole is C11H13N3S.
What is the molecular weight of 3-(1-Piperazinyl)-1,2-benzisothiazole?
The molecular weight of 3-(1-Piperazinyl)-1,2-benzisothiazole is 219.08 g/mol.
Where can I buy 3-(1-Piperazinyl)-1,2-benzisothiazole?
You can request a quote for 3-(1-Piperazinyl)-1,2-benzisothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Piperazinyl)-1,2-benzisothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Piperazinyl)-1,2-benzisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.