1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine
TL;DR: 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine (CAS 852463-58-2) is a chemical compound with molecular formula C21H24N2O3S2 and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Also Known As: 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine, [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
| Molecular Formula | C21H24N2O3S2 |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 3.3854 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.12283 |
| Heavy Atoms | 28 |
| Complexity | 948.83453 |
Chemical Identifiers
| CAS Number | 852463-58-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4 |
Product Overview
1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine (CAS 852463-58-2), with molecular formula C21H24N2O3S2 and molecular weight 416.12 g/mol. IUPAC: [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
Chemical Property Profile of 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine
Property Insights of 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine
The XLogP value of 3.3854 indicates that 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine 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-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine?
The CAS number of 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine is 852463-58-2.
What is the molecular formula of 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine?
The molecular formula of 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine is C21H24N2O3S2.
What is the molecular weight of 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine?
The molecular weight of 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine is 416.12 g/mol.
Where can I buy 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine?
You can request a quote for 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-phenylethenesulfonyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.