![2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide structure](/static/products/6765/676589-13-2.webp)
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
TL;DR: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS 676589-13-2) is a chemical compound with molecular formula C14H17N3O4S and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide, 1,2-Benzisothiazol-3(2H)-one, 2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-, 1,1-dioxide, 2-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one, 2-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
| Molecular Formula | C14H17N3O4S |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | -0.3949 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.09396 |
| Heavy Atoms | 22 |
| Complexity | 723.3584 |
Chemical Identifiers
| CAS Number | 676589-13-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS 676589-13-2), with molecular formula C14H17N3O4S and molecular weight 323.09 g/mol. IUPAC: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
Property Insights of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
The XLogP value of -0.3949 indicates that 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-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
Frequently Asked Questions
What is the CAS number of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The CAS number of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide is 676589-13-2.
What is the molecular formula of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The molecular formula of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide is C14H17N3O4S.
What is the molecular weight of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The molecular weight of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide is 323.09 g/mol.
Where can I buy 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
You can request a quote for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 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 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.