![4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one structure](/static/products/6927/692771-16-7.webp)
4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
TL;DR: 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (CAS 692771-16-7) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
Also Known As: 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one, 4-{[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]carbonyl}-1-phenylpyrrolidin-2-one, 4-{[4-(1,1-dioxido-1,2-benzisothiazol-3-yl)-1-piperazinyl]carbonyl}-1-phenyl-2-pyrrolidinone
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 1.3328 |
| Topological Polar Surface Area | 90.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1171.0068 |
Chemical Identifiers
| CAS Number | 692771-16-7 |
|---|---|
| SMILES | C1CN(CCN1C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5 |
Product Overview
4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (CAS 692771-16-7), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one.
Chemical Property Profile of 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
Property Insights of 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
The XLogP value of 1.3328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one. The TPSA of 90.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one. Following Lipinski's Rule of Five, 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-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 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The CAS number of 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is 692771-16-7.
What is the molecular formula of 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The molecular formula of 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is C22H22N4O4S.
What is the molecular weight of 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The molecular weight of 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is 438.14 g/mol.
Where can I buy 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
You can request a quote for 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.