![6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole structure](/static/products/871/871797-66-9.png)
6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole
TL;DR: 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole (CAS 871797-66-9) is a chemical compound with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-6-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
Also Known As: 6-[4-(2-phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole, 1,3-benzothiazol-6-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
| Molecular Formula | C20H19N3O3S2 |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 3.0548 |
| Topological Polar Surface Area | 70.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.0868 |
| Heavy Atoms | 28 |
| Complexity | 1115.8181 |
Chemical Identifiers
| CAS Number | 871797-66-9 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=CS3)S(=O)(=O)/C=C/C4=CC=CC=C4 |
Product Overview
6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole (CAS 871797-66-9), with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol. IUPAC: 1,3-benzothiazol-6-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.
Chemical Property Profile of 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole
Property Insights of 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole
The XLogP value of 3.0548 indicates that 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole. Following Lipinski's Rule of Five, 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole 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 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole?
The CAS number of 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole is 871797-66-9.
What is the molecular formula of 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole?
The molecular formula of 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole is C20H19N3O3S2.
What is the molecular weight of 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole?
The molecular weight of 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole is 413.09 g/mol.
Where can I buy 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole?
You can request a quote for 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-[4-(2-Phenylethenesulfonyl)piperazine-1-carbonyl]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.