![2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one structure](/static/products/879/879581-75-6.png)
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
TL;DR: 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one (CAS 879581-75-6) is a chemical compound with molecular formula C20H21N3O5S and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one, 2-(2-(4-(3-methoxyphenyl)piperazin-1-yl)-2-oxoethyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,2-benzothiazol-3(2H)-one 1,1-dioxide
| Molecular Formula | C20H21N3O5S |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 1.1885 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.12018 |
| Heavy Atoms | 29 |
| Complexity | 1061.2913 |
Chemical Identifiers
| CAS Number | 879581-75-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one (CAS 879581-75-6), with molecular formula C20H21N3O5S and molecular weight 415.12 g/mol. IUPAC: 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Property Insights of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
The XLogP value of 1.1885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one. Following Lipinski's Rule of Five, 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one has 0 hydrogen bond donor(s) and 6 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-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The CAS number of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one is 879581-75-6.
What is the molecular formula of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular formula of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one is C20H21N3O5S.
What is the molecular weight of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular weight of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one is 415.12 g/mol.
Where can I buy 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
You can request a quote for 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one 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-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.