![1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one structure](/static/products/3453/345367-70-6.webp)
1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one
TL;DR: 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one (CAS 345367-70-6) is a chemical compound with molecular formula C15H19N3O3S and molecular weight 321.11 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]butan-1-one
Also Known As: 3-(4-butanoylpiperazin-1-yl)-1, 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one, 1-[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one
| Molecular Formula | C15H19N3O3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.11472 |
| Heavy Atoms | 22 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 345367-70-6 |
|---|---|
| SMILES | CCCC(=O)N1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | IWRJYDPMJVYVHZ-UHFFFAOYSA-N |
Product Overview
1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one (CAS 345367-70-6), with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol. IUPAC: 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one.
Chemical Property Profile of 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one
Property Insights of 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one. Following Lipinski's Rule of Five, 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one has 0 hydrogen bond donor(s) and 4 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 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one?
The CAS number of 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one is 345367-70-6.
What is the molecular formula of 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one?
The molecular formula of 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one is C15H19N3O3S.
What is the molecular weight of 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one?
The molecular weight of 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one is 321.11 g/mol.
Where can I buy 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one?
You can request a quote for 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.