![2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide structure](/static/products/132/1323384-90-2.webp)
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
TL;DR: 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS 1323384-90-2) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide, 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one
Technical Specifications
| Molecular Formula | C21H23N3O4S |
| Molecular Weight | 413.14093 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.14093 Da |
| Heavy Atoms | 29 |
| Complexity | 706.0 |
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O |
| InChIKey | JRKDKGWLVXUOCQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
Property Insights of 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The CAS number of 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide is 1323384-90-2.
What is the molecular formula of 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The molecular formula of 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide is C21H23N3O4S.
What is the molecular weight of 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The molecular weight of 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide is 413.14093 g/mol.
Where can I buy 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
You can request a quote for 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.