![3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide structure](/static/products/6631/663167-56-4.webp)
3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide
TL;DR: 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide (CAS 663167-56-4) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
Also Known As: BAS 05967129, AN-648/41701146, 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone, 1-[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone, 2-[4-(1,1-dioxido-1,2-benzisothiazol-3-yl)-1-piperazinyl]-2-oxoethyl 4-methylphenyl ether
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 1.66712 |
| Topological Polar Surface Area | 79.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 1023.67126 |
Chemical Identifiers
| CAS Number | 663167-56-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43 |
Product Overview
3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide (CAS 663167-56-4), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone.
Chemical Property Profile of 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide
Property Insights of 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide
The XLogP value of 1.66712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide. The TPSA of 79.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide. Following Lipinski's Rule of Five, 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 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 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide?
The CAS number of 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide is 663167-56-4.
What is the molecular formula of 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide?
The molecular formula of 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide is C20H21N3O4S.
What is the molecular weight of 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide?
The molecular weight of 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide is 399.13 g/mol.
Where can I buy 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide?
You can request a quote for 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 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-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-[(4-Methylphenoxy)acetyl]-1-piperazinyl}-1,2-benzisothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.