3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide
TL;DR: 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide (CAS 69046-50-0) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide
Also Known As: 3-(4-phenylpiperazin-1-yl)benzo[d]isothiazole 1,1-dioxide, 3-(4-phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide, 3-(4-PHENYLPIPERAZINO)-1H-1,2-BENZISOTHIAZOLE-1,1-DIONE
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 1.9577 |
| Topological Polar Surface Area | 52.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 854.41705 |
Chemical Identifiers
| CAS Number | 69046-50-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43 |
Product Overview
3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide (CAS 69046-50-0), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: 3-(4-phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide
Property Insights of 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide
The XLogP value of 1.9577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide. With a topological polar surface area (TPSA) of 52.98 Ų, 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide has 0 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-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide?
The CAS number of 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide is 69046-50-0.
What is the molecular formula of 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide?
The molecular formula of 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide is C17H17N3O2S.
What is the molecular weight of 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide?
The molecular weight of 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide is 327.10 g/mol.
Where can I buy 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide?
You can request a quote for 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Phenylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.