![2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one structure](/static/products/5869/586991-85-7.webp)
2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
TL;DR: 2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one (CAS 586991-85-7) is a chemical compound with molecular formula C26H25N3O4S and molecular weight 475.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one, AL-383/41206045, 2-[2-(4-benzhydryl-1-piperazinyl)-2-oxoethyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide, 2-(2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-[2-(4-BENZHYDRYLPIPERAZINO)-2-OXOETHYL]-1H-1,2-BENZISOTHIAZOLE-1,1,3(2H)-TRIONE
| Molecular Formula | C26H25N3O4S |
|---|---|
| Molecular Weight | 475.16 g/mol |
| LogP | 2.7649 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.1566 |
| Heavy Atoms | 34 |
| Complexity | 1264.642 |
Chemical Identifiers
| CAS Number | 586991-85-7 |
|---|---|
| SMILES | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)C5=CC=CC=C5S4(=O)=O |
Product Overview
2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one (CAS 586991-85-7), with molecular formula C26H25N3O4S and molecular weight 475.16 g/mol. IUPAC: 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Property Insights of 2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
The XLogP value of 2.7649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one. Following Lipinski's Rule of Five, 2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one 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-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The CAS number of 2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one is 586991-85-7.
What is the molecular formula of 2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular formula of 2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one is C26H25N3O4S.
What is the molecular weight of 2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular weight of 2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one is 475.16 g/mol.
Where can I buy 2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
You can request a quote for 2-[2-(4-Benzhydrylpiperazin-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-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Benzhydrylpiperazin-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.