![1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine structure](/static/products/7936/793680-91-8.webp)
1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine
TL;DR: 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine (CAS 793680-91-8) is a chemical compound with molecular formula C22H26N2O3S2 and molecular weight 430.14 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]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
Also Known As: 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine, [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
| Molecular Formula | C22H26N2O3S2 |
|---|---|
| Molecular Weight | 430.14 g/mol |
| LogP | 3.7755 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.1385 |
| Heavy Atoms | 29 |
| Complexity | 964.81964 |
Chemical Identifiers
| CAS Number | 793680-91-8 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4 |
Product Overview
1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine (CAS 793680-91-8), with molecular formula C22H26N2O3S2 and molecular weight 430.14 g/mol. IUPAC: [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone.
Chemical Property Profile of 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine
Property Insights of 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine
The XLogP value of 3.7755 indicates that 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)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-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)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-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine?
The CAS number of 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine is 793680-91-8.
What is the molecular formula of 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine?
The molecular formula of 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine is C22H26N2O3S2.
What is the molecular weight of 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine?
The molecular weight of 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine is 430.14 g/mol.
Where can I buy 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine?
You can request a quote for 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-{4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbonyl}-4-(2-phenylethenesulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.